(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid

C11H12BrNO4 — CID 107823375

IUPAC(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO4/c12-8-3-1-7(2-4-8)10(15)13-9(5-6-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyCMHQBNQXDYVCOR-SECBINFHSA-N
MW302.12 g/mol
LogP1.01
Rot. Bonds5

About (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 107823375) has the molecular formula C11H12BrNO4 and a molecular weight of 302.12 g/mol. Its IUPAC name is (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID107823375
Molecular FormulaC11H12BrNO4
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Name(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO4/c12-8-3-1-7(2-4-8)10(15)13-9(5-6-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyCMHQBNQXDYVCOR-SECBINFHSA-N
XLogP1.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
2-[(3-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243644
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
(2R)-2-[(4-cyanobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004976
(2R)-2-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823350
(2R)-4-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid
CID 107822947
(2S)-2-[(4-bromophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825877
2-[(4-bromobenzoyl)amino]-3-methoxypropanoic acid
CID 81076799
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244022

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid (CID 107823375) is (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid is O=C(N[C@H](CCO)C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is CMHQBNQXDYVCOR-SECBINFHSA-N. The full InChI is InChI=1S/C11H12BrNO4/c12-8-3-1-7(2-4-8)10(15)13-9(5-6-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 302.12 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107823375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).