Name: Name:2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
Brand: Angene
SKU: AG01EKEM
Rating: 90 (10 reviews)

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid

CAS No.:

1695168-79-6

Catalog Number:

AG01EKEM

Molecular Formula:

C22H21N3O4

Molecular Weight:

391.4198

Catalog Number:

AG01EKEM

Chemical Name:

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid

CAS Number:

1695168-79-6

Molecular Formula:

C22H21N3O4

Molecular Weight:

391.4198

MDL Number:

MFCD31559684

IUPAC Name:

2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

InChI:

InChI=1S/C22H21N3O4/c1-24-12-14(11-23-24)20(21(26)27)25(2)22(28)29-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-12,19-20H,13H2,1-2H3,(H,26,27)

InChI Key:

XLIZBJKJZLQENH-UHFFFAOYSA-N

SMILES:

OC(=O)C(N(C(=O)OCC1c2ccccc2c2c1cccc2)C)c1cnn(c1)C

Complexity:

593

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

391.153g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

391.427g/mol

Monoisotopic Mass:

391.153g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8