4-amino-3-(5-chloro-3-pyridinyl)butanoic acid

C9H11ClN2O2 — CID 84680612

IUPAC4-amino-3-(5-chloro-3-pyridinyl)butanoic acid
SMILESNCC(CC(=O)O)c1cncc(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c10-8-1-7(4-12-5-8)6(3-11)2-9(13)14/h1,4-6H,2-3,11H2,(H,13,14)
InChIKeyZPLFCELPNVMCDM-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.25
Rot. Bonds4

About 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid

4-amino-3-(5-chloro-3-pyridinyl)butanoic acid (PubChem CID 84680612) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(5-chloro-3-pyridinyl)butanoic acid
PubChem CID84680612
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name4-amino-3-(5-chloro-3-pyridinyl)butanoic acid
SMILESNCC(CC(=O)O)c1cncc(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c10-8-1-7(4-12-5-8)6(3-11)2-9(13)14/h1,4-6H,2-3,11H2,(H,13,14)
InChIKeyZPLFCELPNVMCDM-UHFFFAOYSA-N
XLogP1.25
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-3-(5-chloro-3-pyridinyl)butanoic 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-amino-3-(5-chloro-3-pyridinyl)propanoic acid
CID 84669672
3-(5-chloro-3-pyridinyl)butanoic acid
CID 84669087
3-(3,5-dichlorophenyl)pentanedioic acid
CID 10678120
4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid
CID 84672745
4-amino-3-(4-aminophenyl)butanoic acid
CID 15091311
4-amino-3-(1,3-oxazol-5-yl)butanoic acid
CID 82598142
(3R)-4-amino-3-[4-chloro-3-(pyridin-3-ylmethylamino)phenyl]butanoic acid
CID 66724823
4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid
CID 83835021
3-butan-2-yl-5-chloropyridine
CID 123919361
4-amino-3-(1,2,4-triazin-6-yl)butanoic acid
CID 83828480
3-[5-[(2R)-1-amino-3-carboxypropan-2-yl]-2-chlorophenyl]-5-chlorobenzoic acid
CID 66725014
(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid?
The IUPAC name of 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid (CID 84680612) is 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid.
What is the SMILES notation for 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid?
The canonical SMILES for 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid is NCC(CC(=O)O)c1cncc(Cl)c1.
What is the InChIKey of 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid?
The InChIKey is ZPLFCELPNVMCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-8-1-7(4-12-5-8)6(3-11)2-9(13)14/h1,4-6H,2-3,11H2,(H,13,14).
What are the key properties of 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid?
4-amino-3-(5-chloro-3-pyridinyl)butanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-chloro-3-pyridinyl)butanoic acid is sourced from PubChem (CID 84680612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).