2-[(3-chlorobenzoyl)-ethylamino]acetic acid

C11H12ClNO3 — CID 61021485

IUPAC2-[(3-chlorobenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO3/c1-2-13(7-10(14)15)11(16)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyAQEUSFSFSFQFKQ-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.89
Rot. Bonds4

About 2-[(3-chlorobenzoyl)-ethylamino]acetic acid

2-[(3-chlorobenzoyl)-ethylamino]acetic acid (PubChem CID 61021485) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)-ethylamino]acetic acid
PubChem CID61021485
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-[(3-chlorobenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO3/c1-2-13(7-10(14)15)11(16)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyAQEUSFSFSFQFKQ-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039
2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
3-chloro-N,N-dipropylbenzamide
CID 669182
2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid
CID 107937807
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630
3-[(3-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325352
2-[ethyl-[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid
CID 54901480
2-[ethyl-[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 54901381
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-chloro-N-ethylbenzamide
CID 54987663

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(3-chlorobenzoyl)-ethylamino]acetic acid (CID 61021485) is 2-[(3-chlorobenzoyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(3-chlorobenzoyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(3-chlorobenzoyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorobenzoyl)-ethylamino]acetic acid?
The InChIKey is AQEUSFSFSFQFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-2-13(7-10(14)15)11(16)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H,14,15).
What are the key properties of 2-[(3-chlorobenzoyl)-ethylamino]acetic acid?
2-[(3-chlorobenzoyl)-ethylamino]acetic acid has a molecular weight of 241.67 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)-ethylamino]acetic acid is sourced from PubChem (CID 61021485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).