2-[(2-chlorobenzoyl)-methylamino]propanoic acid

C11H12ClNO3 — CID 62626876

IUPAC2-[(2-chlorobenzoyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO3/c1-7(11(15)16)13(2)10(14)8-5-3-4-6-9(8)12/h3-7H,1-2H3,(H,15,16)
InChIKeyHXPSCAPNPLSRNW-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.89
Rot. Bonds3

About 2-[(2-chlorobenzoyl)-methylamino]propanoic acid

2-[(2-chlorobenzoyl)-methylamino]propanoic acid (PubChem CID 62626876) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)-methylamino]propanoic acid
PubChem CID62626876
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-[(2-chlorobenzoyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO3/c1-7(11(15)16)13(2)10(14)8-5-3-4-6-9(8)12/h3-7H,1-2H3,(H,15,16)
InChIKeyHXPSCAPNPLSRNW-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 82482408
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2-[(2-chloro-4,5-difluorobenzoyl)-methylamino]propanoic acid
CID 62626388
2-[(2-chlorobenzoyl)-methylamino]-4-sulfanylbutanoic acid
CID 22216809
2-[(2-chloro-4-nitrobenzoyl)-methylamino]propanoic acid
CID 62627827
2-[(2-chloro-3-nitrobenzoyl)-methylamino]propanoic acid
CID 114036643
2-[(3-fluoro-2-methylbenzoyl)-methylamino]propanoic acid
CID 122107523
2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547839
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
2-chloro-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 141220013
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]propanoic acid
CID 119208694

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2-chlorobenzoyl)-methylamino]propanoic acid (CID 62626876) is 2-[(2-chlorobenzoyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-chlorobenzoyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-chlorobenzoyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorobenzoyl)-methylamino]propanoic acid?
The InChIKey is HXPSCAPNPLSRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-7(11(15)16)13(2)10(14)8-5-3-4-6-9(8)12/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-[(2-chlorobenzoyl)-methylamino]propanoic acid?
2-[(2-chlorobenzoyl)-methylamino]propanoic acid has a molecular weight of 241.67 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)-methylamino]propanoic acid is sourced from PubChem (CID 62626876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).