3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid

C13H22N2O3 — CID 55071819

IUPAC3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
SMILESCC1CC1NC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-7-11(9)14-13(18)15-6-2-3-10(8-15)4-5-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyRRKNISACPRVWLU-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds4

About 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid

3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid (PubChem CID 55071819) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
PubChem CID55071819
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
SMILESCC1CC1NC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-7-11(9)14-13(18)15-6-2-3-10(8-15)4-5-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyRRKNISACPRVWLU-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]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

3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 80715207
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106191160
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708
3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
3-[1-[1-(dimethylamino)propan-2-ylcarbamoyl]piperidin-3-yl]propanoic acid
CID 82938050
2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid
CID 64742546
3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 102779251

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid (CID 55071819) is 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid is CC1CC1NC(=O)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid?
The InChIKey is RRKNISACPRVWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-7-11(9)14-13(18)15-6-2-3-10(8-15)4-5-12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid?
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 55071819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).