(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid

C10H9BrClNO3 — CID 78972945

IUPAC(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(Br)ccc1Cl)C(=O)O
InChIInChI=1S/C10H9BrClNO3/c1-5(10(15)16)13-9(14)7-4-6(11)2-3-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyAGGZPSJHOWBOLE-RXMQYKEDSA-N
MW306.54 g/mol
LogP2.31
Rot. Bonds3

About (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid

(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid (PubChem CID 78972945) has the molecular formula C10H9BrClNO3 and a molecular weight of 306.54 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
PubChem CID78972945
Molecular FormulaC10H9BrClNO3
Molecular Weight306.54 g/mol
Exact Mass304.95
IUPAC Name(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(Br)ccc1Cl)C(=O)O
InChIInChI=1S/C10H9BrClNO3/c1-5(10(15)16)13-9(14)7-4-6(11)2-3-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyAGGZPSJHOWBOLE-RXMQYKEDSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733019
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244022
5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide
CID 114389823
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 55105060
5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 58185158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid (CID 78972945) is (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid is C[C@@H](NC(=O)c1cc(Br)ccc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid?
The InChIKey is AGGZPSJHOWBOLE-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9BrClNO3/c1-5(10(15)16)13-9(14)7-4-6(11)2-3-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid?
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid has a molecular weight of 306.54 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 78972945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).