1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid

C12H19NO3 — CID 122118851

IUPAC1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CC2CC2)C1
InChIInChI=1S/C12H19NO3/c1-8-4-10(12(15)16)7-13(6-8)11(14)5-9-2-3-9/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyWYVQEFPHRXXVBT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid

1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118851) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122118851
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CC2CC2)C1
InChIInChI=1S/C12H19NO3/c1-8-4-10(12(15)16)7-13(6-8)11(14)5-9-2-3-9/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyWYVQEFPHRXXVBT-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
1-but-3-ynoyl-5-methylpiperidine-3-carboxylic acid
CID 130987653
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
5-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122117884
5-methyl-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid
CID 122118864
1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119167914
1-[2-(4,4-dimethylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533851
1-hex-5-enoyl-5-methylpiperidine-3-carboxylic acid
CID 122117857
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122125296
4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525376
1-[2-(4-chlorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119518

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid (CID 122118851) is 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)CC2CC2)C1.
What is the InChIKey of 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is WYVQEFPHRXXVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-4-10(12(15)16)7-13(6-8)11(14)5-9-2-3-9/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid?
1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).