(2S)-2-piperidin-1-ylpropanoic acid

C8H15NO2 — CID 1081500

IUPAC(2S)-2-piperidin-1-ylpropanoic acid
SMILESC[C@@H](C(=O)O)N1CCCCC1
InChIInChI=1S/C8H15NO2/c1-7(8(10)11)9-5-3-2-4-6-9/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyYTWYJCFQNOZVEC-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.95
Rot. Bonds2

About (2S)-2-piperidin-1-ylpropanoic acid

(2S)-2-piperidin-1-ylpropanoic acid (PubChem CID 1081500) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-2-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-piperidin-1-ylpropanoic acid
PubChem CID1081500
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-2-piperidin-1-ylpropanoic acid
SMILESC[C@@H](C(=O)O)N1CCCCC1
InChIInChI=1S/C8H15NO2/c1-7(8(10)11)9-5-3-2-4-6-9/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyYTWYJCFQNOZVEC-ZETCQYMHSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-piperidin-1-ylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-piperidin-1-ylpropanoic acid?
The IUPAC name of (2S)-2-piperidin-1-ylpropanoic acid (CID 1081500) is (2S)-2-piperidin-1-ylpropanoic acid.
What is the SMILES notation for (2S)-2-piperidin-1-ylpropanoic acid?
The canonical SMILES for (2S)-2-piperidin-1-ylpropanoic acid is C[C@@H](C(=O)O)N1CCCCC1.
What is the InChIKey of (2S)-2-piperidin-1-ylpropanoic acid?
The InChIKey is YTWYJCFQNOZVEC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(8(10)11)9-5-3-2-4-6-9/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-piperidin-1-ylpropanoic acid?
(2S)-2-piperidin-1-ylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 1081500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).