1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid

C15H26N2O4 — CID 119236201

IUPAC1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCCC(C)C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-4-5-11(2)14(19)16(3)10-13(18)17-8-6-12(7-9-17)15(20)21/h11-12H,4-10H2,1-3H3,(H,20,21)
InChIKeyUUPRMQMUSSJLCT-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.20
Rot. Bonds6

About 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236201) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID119236201
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCCC(C)C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-4-5-11(2)14(19)16(3)10-13(18)17-8-6-12(7-9-17)15(20)21/h11-12H,4-10H2,1-3H3,(H,20,21)
InChIKeyUUPRMQMUSSJLCT-UHFFFAOYSA-N
XLogP1.20
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic 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

1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 97324533
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
1-[2-[2-(cyclopentanecarbonylamino)propanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236335
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103189745
1-[2-[2,4-dimethylpent-4-enoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120689284
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
1-[2-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236385
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956
1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 129467272
1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656849
1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236257

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid (CID 119236201) is 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid is CCCC(C)C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is UUPRMQMUSSJLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-5-11(2)14(19)16(3)10-13(18)17-8-6-12(7-9-17)15(20)21/h11-12H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).