2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid

C12H22N2O4 — CID 66177244

IUPAC2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
SMILESCC(O)(CNC(=O)CCC1CCCNC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(18,11(16)17)8-14-10(15)5-4-9-3-2-6-13-7-9/h9,13,18H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyFVJOIBOKJJYULN-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.28
Rot. Bonds6

About 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid

2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid (PubChem CID 66177244) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
PubChem CID66177244
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
SMILESCC(O)(CNC(=O)CCC1CCCNC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(18,11(16)17)8-14-10(15)5-4-9-3-2-6-13-7-9/h9,13,18H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyFVJOIBOKJJYULN-UHFFFAOYSA-N
XLogP-0.28
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)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

Related Compounds

N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid
CID 65265781
4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
CID 65286080
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479
2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide
CID 103859907
(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 107835993
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide
CID 106247834
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-3-ylpropanamide
CID 106350021
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288
N-[(1-methoxycyclobutyl)methyl]-3-piperidin-3-ylpropanamide
CID 114119240

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid (CID 66177244) is 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid is CC(O)(CNC(=O)CCC1CCCNC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid?
The InChIKey is FVJOIBOKJJYULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(18,11(16)17)8-14-10(15)5-4-9-3-2-6-13-7-9/h9,13,18H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 66177244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).