2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid

C12H21N3O4 — CID 79792508

IUPAC2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C1CCCN(C(N)=O)C1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-3-12(2,10(17)18)14-9(16)8-5-4-6-15(7-8)11(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,16)(H,17,18)
InChIKeyVRAADZYSJJRXPW-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.15
Rot. Bonds4

About 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid

2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79792508) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79792508
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C1CCCN(C(N)=O)C1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-3-12(2,10(17)18)14-9(16)8-5-4-6-15(7-8)11(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,16)(H,17,18)
InChIKeyVRAADZYSJJRXPW-UHFFFAOYSA-N
XLogP0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 43618865
2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methylbutanoic acid
CID 119199011
2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119199669
2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 119192417
2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119192353
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535241
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
CID 115612806
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119572161
2-methyl-2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119191915

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid (CID 79792508) is 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)C1CCCN(C(N)=O)C1)C(=O)O.
What is the InChIKey of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is VRAADZYSJJRXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-12(2,10(17)18)14-9(16)8-5-4-6-15(7-8)11(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,16)(H,17,18).
What are the key properties of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid?
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79792508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).