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

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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).