2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid

C11H11ClN2O5 — CID 82546684

IUPAC2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
SMILESNc1c(Cl)cccc1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H11ClN2O5/c12-7-3-1-2-6(10(7)13)11(19)14(4-8(15)16)5-9(17)18/h1-3H,4-5,13H2,(H,15,16)(H,17,18)
InChIKeyBEBSKQUWNCUFJY-UHFFFAOYSA-N
MW286.67 g/mol
LogP0.53
Rot. Bonds5

About 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid

2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid (PubChem CID 82546684) has the molecular formula C11H11ClN2O5 and a molecular weight of 286.67 g/mol. Its IUPAC name is 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
PubChem CID82546684
Molecular FormulaC11H11ClN2O5
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC Name2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
SMILESNc1c(Cl)cccc1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H11ClN2O5/c12-7-3-1-2-6(10(7)13)11(19)14(4-8(15)16)5-9(17)18/h1-3H,4-5,13H2,(H,15,16)(H,17,18)
InChIKeyBEBSKQUWNCUFJY-UHFFFAOYSA-N
XLogP0.53
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 115540587
2-amino-3-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 115540404
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
CID 43655107
2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
CID 63649912
2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
CID 63651599
2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 115540101
2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
CID 102858927
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid (CID 82546684) is 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid is Nc1c(Cl)cccc1C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is BEBSKQUWNCUFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O5/c12-7-3-1-2-6(10(7)13)11(19)14(4-8(15)16)5-9(17)18/h1-3H,4-5,13H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid?
2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 286.67 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 82546684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).