(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid

C10H9Br2NO3 — CID 107937824

IUPAC(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C10H9Br2NO3/c1-5(10(15)16)13-9(14)7-3-2-6(11)4-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m0/s1
InChIKeyFLQPIANQHVJFGL-YFKPBYRVSA-N
MW350.99 g/mol
LogP2.41
Rot. Bonds3

About (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid

(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid (PubChem CID 107937824) has the molecular formula C10H9Br2NO3 and a molecular weight of 350.99 g/mol. Its IUPAC name is (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
PubChem CID107937824
Molecular FormulaC10H9Br2NO3
Molecular Weight350.99 g/mol
Exact Mass348.89
IUPAC Name(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C10H9Br2NO3/c1-5(10(15)16)13-9(14)7-3-2-6(11)4-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m0/s1
InChIKeyFLQPIANQHVJFGL-YFKPBYRVSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.99
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic 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

2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736
2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 103882644
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463
2,4-dibromo-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 107939092
2,4-dibromo-N-methylbenzamide
CID 54214948
2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid (CID 107937824) is (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid is C[C@H](NC(=O)c1ccc(Br)cc1Br)C(=O)O.
What is the InChIKey of (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid?
The InChIKey is FLQPIANQHVJFGL-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H9Br2NO3/c1-5(10(15)16)13-9(14)7-3-2-6(11)4-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid?
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid has a molecular weight of 350.99 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid is sourced from PubChem (CID 107937824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).