2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid

C12H22N2O3 — CID 79804533

IUPAC2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)C1CCCNC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-12(4-2,11(16)17)14-10(15)9-6-5-7-13-8-9/h9,13H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXROVPMDGTWKKET-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.75
Rot. Bonds5

About 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid

2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid (PubChem CID 79804533) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
PubChem CID79804533
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)C1CCCNC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-12(4-2,11(16)17)14-10(15)9-6-5-7-13-8-9/h9,13H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXROVPMDGTWKKET-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133383
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81133598
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid
CID 83199342
2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 107068360
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 114164701
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid (CID 79804533) is 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid is CCC(CC)(NC(=O)C1CCCNC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid?
The InChIKey is XROVPMDGTWKKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-12(4-2,11(16)17)14-10(15)9-6-5-7-13-8-9/h9,13H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid?
2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid is sourced from PubChem (CID 79804533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).