3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid

C15H26N2O4 — CID 119233185

IUPAC3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-4-11(2)14(20)17-8-5-6-12(10-17)15(21)16(3)9-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyDMAAHGZUJSMCTF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.20
Rot. Bonds6

About 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid

3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 119233185) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID119233185
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-4-11(2)14(20)17-8-5-6-12(10-17)15(21)16(3)9-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyDMAAHGZUJSMCTF-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 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic 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

2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid
CID 119172432
3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357
3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362266
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 110837310
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 111695757
N-(2-hydroxypropyl)-N-methyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 62334774
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
CID 119660200

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid (CID 119233185) is 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid is CCC(C)C(=O)N1CCCC(C(=O)N(C)CCC(=O)O)C1.
What is the InChIKey of 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is DMAAHGZUJSMCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-11(2)14(20)17-8-5-6-12(10-17)15(21)16(3)9-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid?
3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic 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 3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119233185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).