(3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid

C12H22N2O3 — CID 39346558

IUPAC(3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCCCCNC(=O)CN1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-6-13-11(15)9-14-7-4-5-10(8-14)12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1
InChIKeyMCNIYSGNASVRCJ-SNVBAGLBSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds6

About (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid

(3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 39346558) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID39346558
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCCCCNC(=O)CN1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-6-13-11(15)9-14-7-4-5-10(8-14)12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1
InChIKeyMCNIYSGNASVRCJ-SNVBAGLBSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-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

Related Compounds

5-(2,2-Dimethyl-3-oxo-piperazin-1-yl)-5-oxo-pentanoic acid
CID 1089069
3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid
CID 16098234
(3R,5S)-5-acetamidopiperidine-3-carboxylic acid
CID 44270778
(3R,5S)-3-amino-5-(2-boronoethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 152028352
(3S,4R)-4-acetamidopiperidine-3-carboxylic acid
CID 44270774
3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid
CID 110191810
Cyclo-(L-Leu-N-ethyl-L-Glu)
CID 170989636
1-(2-Methylbutanoyl)piperidine-3-carboxylic acid
CID 16794986
1-Butanoylpiperidine-3-carboxylic acid
CID 20118758
Ethyl 1-(2-(methylamino)acetyl)piperidine-3-carboxylate
CID 47003233
1-(2-(((Tert-butoxy)carbonyl)amino)ethyl)-2-oxopiperidine-3-carboxylic acid
CID 132312644
1-(2-Aminopropanoyl)piperidine-3-carboxylic acid hydrochloride
CID 132344115

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid (CID 39346558) is (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid is CCCCNC(=O)CN1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is MCNIYSGNASVRCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-6-13-11(15)9-14-7-4-5-10(8-14)12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(butylamino)-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 39346558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).