3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid

C13H24N2O3 — CID 53215711

IUPAC3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CCN1CCCCC1C
InChIInChI=1S/C13H24N2O3/c1-10(9-13(17)18)14-12(16)6-8-15-7-4-3-5-11(15)2/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVNVFSFTWHMVBIR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.23
Rot. Bonds6

About 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid

3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid (PubChem CID 53215711) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
PubChem CID53215711
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CCN1CCCCC1C
InChIInChI=1S/C13H24N2O3/c1-10(9-13(17)18)14-12(16)6-8-15-7-4-3-5-11(15)2/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVNVFSFTWHMVBIR-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(2-methylpiperidin-1-yl)propanoylamino]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

Related Compounds

2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid
CID 52983761
N-[(2R)-1-hydroxybutan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]propanamide
CID 124878185
3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755
3-[2-(aminomethyl)azepan-1-yl]-N-propan-2-ylpropanamide
CID 116640520
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
3-(4-chlorophenyl)-4-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215551
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
N-(3-methylbutan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 60696032
3-[3-(4-methylpiperazin-1-yl)propanoylamino]butanoic acid
CID 110834607
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-pentan-2-ylpropanamide
CID 43113637
methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride
CID 20846518

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid?
The IUPAC name of 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid (CID 53215711) is 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid?
The canonical SMILES for 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid is CC(CC(=O)O)NC(=O)CCN1CCCCC1C.
What is the InChIKey of 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid?
The InChIKey is VNVFSFTWHMVBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(9-13(17)18)14-12(16)6-8-15-7-4-3-5-11(15)2/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid?
3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 53215711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).