2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid

C13H16ClNO3 — CID 62823161

IUPAC2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccccc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-4-15(13(2,3)12(17)18)11(16)9-7-5-6-8-10(9)14/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyJWYCBKRTRWTZTJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.67
Rot. Bonds4

About 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid

2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 62823161) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
PubChem CID62823161
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccccc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-4-15(13(2,3)12(17)18)11(16)9-7-5-6-8-10(9)14/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyJWYCBKRTRWTZTJ-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107986624
2-[(3,5-dichloro-2-iodobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62818591
2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62818583
2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid
CID 62818606
2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820744
2-[ethyl-(3-methyl-2-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 62818222
2-[(2,6-difluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55123816
3-[(2-chlorobenzoyl)-methylamino]-2,2-dimethylpropanoic acid
CID 166311566
2-[ethyl-(2,3,4,5-tetrafluorobenzoyl)amino]-2-methylpropanoic acid
CID 62818415
2-[(2,3-difluoropyridine-4-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 114036658
N,N-di(butan-2-yl)-2-chlorobenzamide
CID 4225702
2-[(2-amino-4-bromobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 79721598

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid (CID 62823161) is 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid is CCN(C(=O)c1ccccc1Cl)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is JWYCBKRTRWTZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-4-15(13(2,3)12(17)18)11(16)9-7-5-6-8-10(9)14/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid?
2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62823161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).