1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid

C14H26N2O3 — CID 55164336

IUPAC1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC(C)[C@H](N)C(=O)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)11(15)12(17)16-8-6-7-14(5-2,9-16)13(18)19/h10-11H,4-9,15H2,1-3H3,(H,18,19)/t10?,11-,14?/m0/s1
InChIKeyAIKMNPMLJUBQHB-CVZZAPKMSA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds5

About 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid

1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 55164336) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID55164336
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC(C)[C@H](N)C(=O)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)11(15)12(17)16-8-6-7-14(5-2,9-16)13(18)19/h10-11H,4-9,15H2,1-3H3,(H,18,19)/t10?,11-,14?/m0/s1
InChIKeyAIKMNPMLJUBQHB-CVZZAPKMSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic 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 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid (CID 55164336) is 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid is CCC(C)[C@H](N)C(=O)N1CCCC(CC)(C(=O)O)C1.
What is the InChIKey of 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is AIKMNPMLJUBQHB-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10(3)11(15)12(17)16-8-6-7-14(5-2,9-16)13(18)19/h10-11H,4-9,15H2,1-3H3,(H,18,19)/t10?,11-,14?/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid?
1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55164336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).