2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid

C10H20N2O2 — CID 139026368

IUPAC2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid
SMILESCC(C)(CNC1CCNCC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14)7-12-8-3-5-11-6-4-8/h8,11-12H,3-7H2,1-2H3,(H,13,14)
InChIKeyBNPLYNJLISDHSW-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.44
Rot. Bonds4

About 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid

2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid (PubChem CID 139026368) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid
PubChem CID139026368
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid
SMILESCC(C)(CNC1CCNCC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14)7-12-8-3-5-11-6-4-8/h8,11-12H,3-7H2,1-2H3,(H,13,14)
InChIKeyBNPLYNJLISDHSW-UHFFFAOYSA-N
XLogP0.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic 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 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid (CID 139026368) is 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid is CC(C)(CNC1CCNCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid?
The InChIKey is BNPLYNJLISDHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,9(13)14)7-12-8-3-5-11-6-4-8/h8,11-12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid?
2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(piperidin-4-ylamino)propanoic acid is sourced from PubChem (CID 139026368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).