Name: Name:2-(tert-butoxycarbonylamino)-4-bromobutanoic acid methyl ester
Brand: Angene
SKU: AG01ELV5
Rating: 90 (10 reviews)

2-(tert-butoxycarbonylamino)-4-bromobutanoic acid methyl ester

CAS No.:

168077-38-1

Catalog Number:

AG01ELV5

Molecular Formula:

C10H18BrNO4

Molecular Weight:

296.1582

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Product Description

Catalog Number:

AG01ELV5

Chemical Name:

2-(tert-butoxycarbonylamino)-4-bromobutanoic acid methyl ester

CAS Number:

168077-38-1

Molecular Formula:

C10H18BrNO4

Molecular Weight:

296.1582

IUPAC Name:

methyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

InChI:

InChI=1S/C10H18BrNO4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)

InChI Key:

MBWPBNACYMMIKZ-UHFFFAOYSA-N

SMILES:

BrCCC(C(=O)OC)NC(=O)OC(C)(C)C

Properties

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.161g/mol

Monoisotopic Mass:

295.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Enhancement of capillary leakage and restoration of lymphocyte egress by a chiral S1P1 antagonist in vivo.	Nature chemical biology 20060801