2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid

C12H22N2O3 — CID 61159683

IUPAC2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCCN1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-7-12(2,11(16)17)14-10(15)9-6-4-5-8-13-9/h9,13H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVQWGSBFWZUNRPC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.89
Rot. Bonds5

About 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid

2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid (PubChem CID 61159683) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
PubChem CID61159683
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCCN1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-7-12(2,11(16)17)14-10(15)9-6-4-5-8-13-9/h9,13H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVQWGSBFWZUNRPC-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-3-yl)piperidine-2-carboxamide
CID 65039048
2-(azepane-2-carbonylamino)-2-ethylbutanoic acid
CID 79804530
4-(azepane-2-carbonylamino)-4-methylpentanoic acid
CID 64568351
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide
CID 107852747
N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide
CID 106188267
methyl 2-methyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoate
CID 93268446
(2S)-N-(1-hydroxy-3-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 106176083
2-phenyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913849
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid
CID 76894150
N-(1-hydroxy-2-phenylpropan-2-yl)piperidine-2-carboxamide
CID 105058124
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid (CID 61159683) is 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid is CCCC(C)(NC(=O)C1CCCCN1)C(=O)O.
What is the InChIKey of 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid?
The InChIKey is VQWGSBFWZUNRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-7-12(2,11(16)17)14-10(15)9-6-4-5-8-13-9/h9,13H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid?
2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 61159683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).