(3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid

C6H12N2O3 — CID 18454523

IUPAC(3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid
SMILESN[C@H]1CCN(C(=O)O)C[C@@H]1O
InChIInChI=1S/C6H12N2O3/c7-4-1-2-8(6(10)11)3-5(4)9/h4-5,9H,1-3,7H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyAGDZQYSHSWJPKP-WHFBIAKZSA-N
MW160.17 g/mol
LogP-0.94
Rot. Bonds

About (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid

(3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid (PubChem CID 18454523) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid
PubChem CID18454523
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid
SMILESN[C@H]1CCN(C(=O)O)C[C@@H]1O
InChIInChI=1S/C6H12N2O3/c7-4-1-2-8(6(10)11)3-5(4)9/h4-5,9H,1-3,7H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyAGDZQYSHSWJPKP-WHFBIAKZSA-N
XLogP-0.94
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic 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 (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid (CID 18454523) is (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid is N[C@H]1CCN(C(=O)O)C[C@@H]1O.
What is the InChIKey of (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid?
The InChIKey is AGDZQYSHSWJPKP-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-4-1-2-8(6(10)11)3-5(4)9/h4-5,9H,1-3,7H2,(H,10,11)/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid?
(3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid has a molecular weight of 160.17 g/mol, XLogP of -0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 18454523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).