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

C11H20N2O3 — CID 79798226

IUPAC2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
SMILESCCC(C)(NC(=O)C1CCCNC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-11(2,10(15)16)13-9(14)8-5-4-6-12-7-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBTNLMXLCMANBIS-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds4

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

2-methyl-2-(piperidine-3-carbonylamino)butanoic acid (PubChem CID 79798226) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-2-(piperidine-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
PubChem CID79798226
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
SMILESCCC(C)(NC(=O)C1CCCNC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-11(2,10(15)16)13-9(14)8-5-4-6-12-7-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBTNLMXLCMANBIS-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79804533
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
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81133598
2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193576
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119199669
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79798216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(piperidine-3-carbonylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(piperidine-3-carbonylamino)butanoic acid (CID 79798226) is 2-methyl-2-(piperidine-3-carbonylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(piperidine-3-carbonylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(piperidine-3-carbonylamino)butanoic acid is CCC(C)(NC(=O)C1CCCNC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(piperidine-3-carbonylamino)butanoic acid?
The InChIKey is BTNLMXLCMANBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(2,10(15)16)13-9(14)8-5-4-6-12-7-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-(piperidine-3-carbonylamino)butanoic acid?
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(piperidine-3-carbonylamino)butanoic acid is sourced from PubChem (CID 79798226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).