2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid

C5H7ClN2O2 — CID 173480036

IUPAC2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid
SMILESNC=C(Cl)/C=N/CC(=O)O
InChIInChI=1S/C5H7ClN2O2/c6-4(1-7)2-8-3-5(9)10/h1-2H,3,7H2,(H,9,10)/b4-1?,8-2+
InChIKeyOWQABYBKXNMVOC-ZCCZRODBSA-N
MW162.58 g/mol
LogP0.18
Rot. Bonds3

About 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid

2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid (PubChem CID 173480036) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid
PubChem CID173480036
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid
SMILESNC=C(Cl)/C=N/CC(=O)O
InChIInChI=1S/C5H7ClN2O2/c6-4(1-7)2-8-3-5(9)10/h1-2H,3,7H2,(H,9,10)/b4-1?,8-2+
InChIKeyOWQABYBKXNMVOC-ZCCZRODBSA-N
XLogP0.18
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid?
The IUPAC name of 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid (CID 173480036) is 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid.
What is the SMILES notation for 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid?
The canonical SMILES for 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid is NC=C(Cl)/C=N/CC(=O)O.
What is the InChIKey of 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid?
The InChIKey is OWQABYBKXNMVOC-ZCCZRODBSA-N. The full InChI is InChI=1S/C5H7ClN2O2/c6-4(1-7)2-8-3-5(9)10/h1-2H,3,7H2,(H,9,10)/b4-1?,8-2+.
What are the key properties of 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid?
2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid has a molecular weight of 162.58 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-chloroprop-2-enylidene)amino]acetic acid is sourced from PubChem (CID 173480036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).