ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate

C12H22N2O3 — CID 79025048

IUPACethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)[C@@H](N)CC)C1
InChIInChI=1S/C12H22N2O3/c1-3-10(13)11(15)14-7-5-6-9(8-14)12(16)17-4-2/h9-10H,3-8,13H2,1-2H3/t9?,10-/m0/s1
InChIKeyBOBXGEDDHBDAIB-AXDSSHIGSA-N
MW242.32 g/mol
LogP0.53
Rot. Bonds4

About ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate

ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate (PubChem CID 79025048) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
PubChem CID79025048
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)[C@@H](N)CC)C1
InChIInChI=1S/C12H22N2O3/c1-3-10(13)11(15)14-7-5-6-9(8-14)12(16)17-4-2/h9-10H,3-8,13H2,1-2H3/t9?,10-/m0/s1
InChIKeyBOBXGEDDHBDAIB-AXDSSHIGSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate 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

ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
ethyl 1-[(2R)-2-amino-3-methylbutanoyl]piperidine-3-carboxylate
CID 79011559
1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide
CID 103796762
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylate
CID 81426190
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate (CID 79025048) is ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)[C@@H](N)CC)C1.
What is the InChIKey of ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate?
The InChIKey is BOBXGEDDHBDAIB-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-10(13)11(15)14-7-5-6-9(8-14)12(16)17-4-2/h9-10H,3-8,13H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate?
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 79025048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).