2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid

C14H16ClNO3 — CID 106860492

IUPAC2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCc1ccc(C(=O)N(CC(=O)O)CC2CC2)c(Cl)c1
InChIInChI=1S/C14H16ClNO3/c1-9-2-5-11(12(15)6-9)14(19)16(8-13(17)18)7-10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,17,18)
InChIKeyPUBOHNQRWBNERK-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.59
Rot. Bonds5

About 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid

2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 106860492) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID106860492
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCc1ccc(C(=O)N(CC(=O)O)CC2CC2)c(Cl)c1
InChIInChI=1S/C14H16ClNO3/c1-9-2-5-11(12(15)6-9)14(19)16(8-13(17)18)7-10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,17,18)
InChIKeyPUBOHNQRWBNERK-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655334
2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
CID 43655107
2-[(4-chloro-2,5-difluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 82782290
1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
CID 106865007
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 106862275
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid (CID 106860492) is 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid is Cc1ccc(C(=O)N(CC(=O)O)CC2CC2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is PUBOHNQRWBNERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9-2-5-11(12(15)6-9)14(19)16(8-13(17)18)7-10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 281.74 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 106860492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).