(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid

C14H26N2O4 — CID 78953665

IUPAC(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CCOC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10(2)9-12(14(18)19)16-13(17)5-8-20-11-3-6-15-7-4-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyQVCQWWJGIUWKRN-LBPRGKRZSA-N
MW286.37 g/mol
LogP0.76
Rot. Bonds8

About (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid

(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid (PubChem CID 78953665) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid
PubChem CID78953665
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CCOC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10(2)9-12(14(18)19)16-13(17)5-8-20-11-3-6-15-7-4-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyQVCQWWJGIUWKRN-LBPRGKRZSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic 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-piperidin-4-yloxypropanoylamino)hexanoic acid
CID 63875636
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
CID 62210939
(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 63902962
3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
CID 103920702
N-(2-hydroxy-4-methylpentyl)-3-piperidin-4-yloxypropanamide
CID 103920724
N-(2,3-dimethylbutyl)-3-piperidin-4-yloxypropanamide
CID 64599298
2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
CID 63904487
2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid
CID 106108800
5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid
CID 82781715
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-4-yloxypropanamide
CID 106349871
3-piperidin-4-yloxy-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81409193
(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 78975617

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid (CID 78953665) is (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid is CC(C)C[C@H](NC(=O)CCOC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid?
The InChIKey is QVCQWWJGIUWKRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)9-12(14(18)19)16-13(17)5-8-20-11-3-6-15-7-4-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid?
(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid is sourced from PubChem (CID 78953665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).