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

C13H23N3O4 — CID 43618865

IUPAC2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCN(C(N)=O)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-6-13(2,11(18)19)15-10(17)9-5-4-7-16(8-9)12(14)20/h9H,3-8H2,1-2H3,(H2,14,20)(H,15,17)(H,18,19)
InChIKeyLFEHMXJQPVAMJS-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.54
Rot. Bonds5

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

2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 43618865) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
PubChem CID43618865
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCN(C(N)=O)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-6-13(2,11(18)19)15-10(17)9-5-4-7-16(8-9)12(14)20/h9H,3-8H2,1-2H3,(H2,14,20)(H,15,17)(H,18,19)
InChIKeyLFEHMXJQPVAMJS-UHFFFAOYSA-N
XLogP0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
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-methyl-2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119191915
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
2-methyl-2-(oxane-3-carbonylamino)pentanoic acid
CID 62759574
2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methylbutanoic acid
CID 119199011
2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 66010443
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119199669
2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175190
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
CID 115612806

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid (CID 43618865) is 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)C1CCCN(C(N)=O)C1)C(=O)O.
What is the InChIKey of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is LFEHMXJQPVAMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-6-13(2,11(18)19)15-10(17)9-5-4-7-16(8-9)12(14)20/h9H,3-8H2,1-2H3,(H2,14,20)(H,15,17)(H,18,19).
What are the key properties of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid?
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.54, 5 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-methylpentanoic acid is sourced from PubChem (CID 43618865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).