Name: Name:ETHYL 2-AMINO-1-(4-METHOXYPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYL+
Brand: Angene
SKU: AG019OHB
Rating: 90 (10 reviews)

ETHYL 2-AMINO-1-(4-METHOXYPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYL+

CAS No.:

380576-92-1

Catalog Number:

AG019OHB

Molecular Formula:

C14H16N2O4

Molecular Weight:

276.2878

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Product Description

Catalog Number:

AG019OHB

Chemical Name:

ETHYL 2-AMINO-1-(4-METHOXYPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYL+

CAS Number:

380576-92-1

Molecular Formula:

C14H16N2O4

Molecular Weight:

276.2878

MDL Number:

MFCD03477670

IUPAC Name:

ethyl 5-amino-1-(4-methoxyphenyl)-2-oxo-3H-pyrrole-4-carboxylate

InChI:

InChI=1S/C14H16N2O4/c1-3-20-14(18)11-8-12(17)16(13(11)15)9-4-6-10(19-2)7-5-9/h4-7H,3,8,15H2,1-2H3

InChI Key:

KGAKKSIYQPGMQY-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1=C(N)N(C(=O)C1)c1ccc(cc1)OC

Properties

Complexity:

425

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

276.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.292g/mol

Monoisotopic Mass:

276.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101