5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid

C15H26N2O4 — CID 62033036

IUPAC5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)C(=O)N1CCCC(C(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-11(2)15(21)17-9-5-6-12(10-17)14(20)16-8-4-3-7-13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOHFKTNDZCKOTEW-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds7

About 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid

5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid (PubChem CID 62033036) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
PubChem CID62033036
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)C(=O)N1CCCC(C(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-11(2)15(21)17-9-5-6-12(10-17)14(20)16-8-4-3-7-13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOHFKTNDZCKOTEW-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 103771492
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94093245
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 173078011

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid (CID 62033036) is 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid is CC(C)C(=O)N1CCCC(C(=O)NCCCCC(=O)O)C1.
What is the InChIKey of 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is OHFKTNDZCKOTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(2)15(21)17-9-5-6-12(10-17)14(20)16-8-4-3-7-13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid?
5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 62033036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).