ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate

C12H22N2O3 — CID 103809125

IUPACethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C12H22N2O3/c1-2-17-11(15)7-5-9-14-12(16)10-6-3-4-8-13-10/h10,13H,2-9H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyBZBPITIFJHKHEK-JTQLQIEISA-N
MW242.32 g/mol
LogP0.59
Rot. Bonds6

About ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate

ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate (PubChem CID 103809125) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
PubChem CID103809125
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C12H22N2O3/c1-2-17-11(15)7-5-9-14-12(16)10-6-3-4-8-13-10/h10,13H,2-9H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyBZBPITIFJHKHEK-JTQLQIEISA-N
XLogP0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate 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 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119290922
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate
CID 64576385
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657
(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997
N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119303011
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
The IUPAC name of ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate (CID 103809125) is ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate is CCOC(=O)CCCNC(=O)[C@@H]1CCCCN1.
What is the InChIKey of ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
The InChIKey is BZBPITIFJHKHEK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-17-11(15)7-5-9-14-12(16)10-6-3-4-8-13-10/h10,13H,2-9H2,1H3,(H,14,16)/t10-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate has a molecular weight of 242.32 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate is sourced from PubChem (CID 103809125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).