2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid

C9H9ClN4O2 — CID 83843207

IUPAC2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
SMILESNC(Cc1cnc2ncc(Cl)n2c1)C(=O)O
InChIInChI=1S/C9H9ClN4O2/c10-7-3-13-9-12-2-5(4-14(7)9)1-6(11)8(15)16/h2-4,6H,1,11H2,(H,15,16)
InChIKeyVHXOQBACIAXCHH-UHFFFAOYSA-N
MW240.65 g/mol
LogP0.34
Rot. Bonds3

About 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid

2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid (PubChem CID 83843207) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
PubChem CID83843207
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Name2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid
SMILESNC(Cc1cnc2ncc(Cl)n2c1)C(=O)O
InChIInChI=1S/C9H9ClN4O2/c10-7-3-13-9-12-2-5(4-14(7)9)1-6(11)8(15)16/h2-4,6H,1,11H2,(H,15,16)
InChIKeyVHXOQBACIAXCHH-UHFFFAOYSA-N
XLogP0.34
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
CID 10330017
1-(3-chloroimidazo[1,2-a]pyridin-6-yl)propan-2-one
CID 83834345
2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
CID 84772644
(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid
CID 170110433
3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde
CID 83828452
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
CID 11380226
2-amino-3-phenylpropanoic acid;chlorobenzene
CID 174438338
2-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124426
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;methane;methyl (2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoate
CID 161483987

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid (CID 83843207) is 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid is NC(Cc1cnc2ncc(Cl)n2c1)C(=O)O.
What is the InChIKey of 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is VHXOQBACIAXCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c10-7-3-13-9-12-2-5(4-14(7)9)1-6(11)8(15)16/h2-4,6H,1,11H2,(H,15,16).
What are the key properties of 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid?
2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 240.65 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloroimidazo[1,2-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 83843207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).