2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid

C12H22N2O4 — CID 102961867

IUPAC2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCC(C)C(O)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-12(3,10(16)17)13-11(18)14-6-5-8(2)9(15)7-14/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeySGPYYUVQMAWYEB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds3

About 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid

2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 102961867) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID102961867
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCC(C)C(O)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-12(3,10(16)17)13-11(18)14-6-5-8(2)9(15)7-14/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeySGPYYUVQMAWYEB-UHFFFAOYSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic 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 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 102961867) is 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N1CCC(C)C(O)C1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is SGPYYUVQMAWYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-12(3,10(16)17)13-11(18)14-6-5-8(2)9(15)7-14/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 102961867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).