4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid

C10H20N2O3 — CID 67799169

IUPAC4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid
SMILESC[C@]1(NC(CCO)C(=O)O)CCCCN1
InChIInChI=1S/C10H20N2O3/c1-10(5-2-3-6-11-10)12-8(4-7-13)9(14)15/h8,11-13H,2-7H2,1H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyNEBPFYHWPUWCJJ-HTLJXXAVSA-N
MW216.28 g/mol
LogP-0.10
Rot. Bonds5

About 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid

4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid (PubChem CID 67799169) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid
PubChem CID67799169
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid
SMILESC[C@]1(NC(CCO)C(=O)O)CCCCN1
InChIInChI=1S/C10H20N2O3/c1-10(5-2-3-6-11-10)12-8(4-7-13)9(14)15/h8,11-13H,2-7H2,1H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyNEBPFYHWPUWCJJ-HTLJXXAVSA-N
XLogP-0.10
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid (CID 67799169) is 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid is C[C@]1(NC(CCO)C(=O)O)CCCCN1.
What is the InChIKey of 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid?
The InChIKey is NEBPFYHWPUWCJJ-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(5-2-3-6-11-10)12-8(4-7-13)9(14)15/h8,11-13H,2-7H2,1H3,(H,14,15)/t8?,10-/m0/s1.
What are the key properties of 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid?
4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[(2S)-2-methylpiperidin-2-yl]amino]butanoic acid is sourced from PubChem (CID 67799169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).