2-[acetyl(chloro)amino]acetic acid

C4H6ClNO3 — CID 21446181

IUPAC2-[acetyl(chloro)amino]acetic acid
SMILESCC(=O)N(Cl)CC(=O)O
InChIInChI=1S/C4H6ClNO3/c1-3(7)6(5)2-4(8)9/h2H2,1H3,(H,8,9)
InChIKeyQGLFALHOWWFKJO-UHFFFAOYSA-N
MW151.55 g/mol
LogP0.07
Rot. Bonds2

About 2-[acetyl(chloro)amino]acetic acid

2-[acetyl(chloro)amino]acetic acid (PubChem CID 21446181) has the molecular formula C4H6ClNO3 and a molecular weight of 151.55 g/mol. Its IUPAC name is 2-[acetyl(chloro)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(chloro)amino]acetic acid
PubChem CID21446181
Molecular FormulaC4H6ClNO3
Molecular Weight151.55 g/mol
Exact Mass151.00
IUPAC Name2-[acetyl(chloro)amino]acetic acid
SMILESCC(=O)N(Cl)CC(=O)O
InChIInChI=1S/C4H6ClNO3/c1-3(7)6(5)2-4(8)9/h2H2,1H3,(H,8,9)
InChIKeyQGLFALHOWWFKJO-UHFFFAOYSA-N
XLogP0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.55
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Diethylamino)(oxo)acetic acid
CID 4180752
N-Acetyl-N-methylglycine
CID 10975514
Glycine, N-(carboxycarbonyl)-N-methyl-
CID 14985601
N-acetyliminodiacetic acid
CID 10130190
Diacetylglycine
CID 14926475
Chloro-acetyl-DL-alanine
CID 87813273
N-Acetyl-N-hydroxyaminoacetic acid
CID 135275
2-[(2-Fluoroacetyl)-methylamino]acetic acid
CID 170381924
n-Acetylcyanoglycine
CID 90690065
Acetyl(trishydroxymethyl)glycine
CID 129660890
N-acetyl ethynyl glycine
CID 129710344
Chlor-acetyl-d-Alanin
CID 129888547

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(chloro)amino]acetic acid?
The IUPAC name of 2-[acetyl(chloro)amino]acetic acid (CID 21446181) is 2-[acetyl(chloro)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(chloro)amino]acetic acid?
The canonical SMILES for 2-[acetyl(chloro)amino]acetic acid is CC(=O)N(Cl)CC(=O)O.
What is the InChIKey of 2-[acetyl(chloro)amino]acetic acid?
The InChIKey is QGLFALHOWWFKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO3/c1-3(7)6(5)2-4(8)9/h2H2,1H3,(H,8,9).
What are the key properties of 2-[acetyl(chloro)amino]acetic acid?
2-[acetyl(chloro)amino]acetic acid has a molecular weight of 151.55 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(chloro)amino]acetic acid is sourced from PubChem (CID 21446181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).