(2S)-2-[(4-chlorobenzoyl)amino]propanoic acid

C10H10ClNO3 — CID 1241470

IUPAC(2S)-2-[(4-chlorobenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeySSHYAHPMLSAGGG-LURJTMIESA-N
MW227.65 g/mol
LogP1.54
Rot. Bonds3

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

(2S)-2-[(4-chlorobenzoyl)amino]propanoic acid (PubChem CID 1241470) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is (2S)-2-[(4-chlorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chlorobenzoyl)amino]propanoic acid
PubChem CID1241470
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name(2S)-2-[(4-chlorobenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeySSHYAHPMLSAGGG-LURJTMIESA-N
XLogP1.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorobenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-chlorobenzoyl)amino]propanoic acid (CID 1241470) is (2S)-2-[(4-chlorobenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-chlorobenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-chlorobenzoyl)amino]propanoic acid is C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-chlorobenzoyl)amino]propanoic acid?
The InChIKey is SSHYAHPMLSAGGG-LURJTMIESA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorobenzoyl)amino]propanoic acid?
(2S)-2-[(4-chlorobenzoyl)amino]propanoic acid has a molecular weight of 227.65 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 1241470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).