5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid

C13H23N3O4 — CID 104686059

IUPAC5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)N1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-9(12(18)19)3-2-6-15-13(20)16-7-4-10(5-8-16)11(14)17/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyKAKPSPLLLISELN-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.39
Rot. Bonds6

About 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid

5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 104686059) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
PubChem CID104686059
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)N1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-9(12(18)19)3-2-6-15-13(20)16-7-4-10(5-8-16)11(14)17/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyKAKPSPLLLISELN-UHFFFAOYSA-N
XLogP0.39
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540176
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686905
1-N-(2-aminoethyl)piperidine-1,4-dicarboxamide
CID 82508838
4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540824
1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide
CID 47127704
1-(4,8,13,17-tetramethylicosylcarbamoyl)piperidine-4-carboxylic acid
CID 175819564
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 113416458
2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 102744984

Frequently Asked Questions

What is the IUPAC name of 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid (CID 104686059) is 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid is CC(CCCNC(=O)N1CCC(C(N)=O)CC1)C(=O)O.
What is the InChIKey of 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is KAKPSPLLLISELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(12(18)19)3-2-6-15-13(20)16-7-4-10(5-8-16)11(14)17/h9-10H,2-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid?
5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 104686059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).