2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid

C14H16ClNO3 — CID 120689553

IUPAC2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
SMILESCc1ccc(Cl)cc1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C14H16ClNO3/c1-8-2-5-10(15)7-11(8)13(17)16-12(14(18)19)6-9-3-4-9/h2,5,7,9,12H,3-4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyNDHSWAZGLDIDOT-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.63
Rot. Bonds5

About 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid

2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid (PubChem CID 120689553) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
PubChem CID120689553
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
SMILESCc1ccc(Cl)cc1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C14H16ClNO3/c1-8-2-5-10(15)7-11(8)13(17)16-12(14(18)19)6-9-3-4-9/h2,5,7,9,12H,3-4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyNDHSWAZGLDIDOT-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 113354364
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120535785
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
CID 129467380
3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid
CID 120689532
2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120690229
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
4-[(5-chloro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 82883346
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid?
The IUPAC name of 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid (CID 120689553) is 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid is Cc1ccc(Cl)cc1C(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid?
The InChIKey is NDHSWAZGLDIDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-8-2-5-10(15)7-11(8)13(17)16-12(14(18)19)6-9-3-4-9/h2,5,7,9,12H,3-4,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid?
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid has a molecular weight of 281.74 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 120689553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).