3-amino-3-(5-chloro-3-pyridinyl)propanoic acid

C8H9ClN2O2 — CID 84669672

IUPAC3-amino-3-(5-chloro-3-pyridinyl)propanoic acid
SMILESNC(CC(=O)O)c1cncc(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c9-6-1-5(3-11-4-6)7(10)2-8(12)13/h1,3-4,7H,2,10H2,(H,12,13)
InChIKeyHKZWMAVUJOKQBA-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.21
Rot. Bonds3

About 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid

3-amino-3-(5-chloro-3-pyridinyl)propanoic acid (PubChem CID 84669672) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-chloro-3-pyridinyl)propanoic acid
PubChem CID84669672
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name3-amino-3-(5-chloro-3-pyridinyl)propanoic acid
SMILESNC(CC(=O)O)c1cncc(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c9-6-1-5(3-11-4-6)7(10)2-8(12)13/h1,3-4,7H,2,10H2,(H,12,13)
InChIKeyHKZWMAVUJOKQBA-UHFFFAOYSA-N
XLogP1.21
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-(5-chloro-3-pyridinyl)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

3-(3-Pyridyl)alanine
CID 152953
(S)-3-(6-Chloro-pyridin-3-yl)-3-{[(R)-1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 10527580
(S)-3-(5,6-Dichloro-pyridin-3-yl)-3-{[(R)-1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 10600933
3-Amino-3-(pyridin-3-yl)propanoic acid
CID 3606547
2-[(6-Amino-5-chloro-3-pyridinyl)methyl]-3-propanoylselanylpropanoic acid
CID 145961938
3-(3-Pyridyl)-D-alanine
CID 1268144
3-Amino-3-(pyridin-4-yl)propanoic acid
CID 22062887
3-(5-Chloro-2-guanidino-pyridin-3-yl)-propionic acid
CID 44298459
beta-(3-Pyridyl)-DL-alanine
CID 314100
3-Pyridinepropanoic acid, beta-amino-, ethyl ester, (betaS)-
CID 10081333
3-(6-Chloropyridin-3-yl)propanoic acid
CID 14071568
Ethyl (betaR)-beta-amino-3-pyridinepropanoate
CID 15223456

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid?
The IUPAC name of 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid (CID 84669672) is 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid is NC(CC(=O)O)c1cncc(Cl)c1.
What is the InChIKey of 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid?
The InChIKey is HKZWMAVUJOKQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-1-5(3-11-4-6)7(10)2-8(12)13/h1,3-4,7H,2,10H2,(H,12,13).
What are the key properties of 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid?
3-amino-3-(5-chloro-3-pyridinyl)propanoic acid has a molecular weight of 200.63 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-chloro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 84669672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).