3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid

C14H23NO3 — CID 107175978

IUPAC3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
SMILESCC1CCCC1C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H23NO3/c1-9-5-3-7-11(9)13(16)15-8-4-6-10(2)12(15)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyFWQVEYMWTQSQEB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.13
Rot. Bonds2

About 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid

3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid (PubChem CID 107175978) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
PubChem CID107175978
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
SMILESCC1CCCC1C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H23NO3/c1-9-5-3-7-11(9)13(16)15-8-4-6-10(2)12(15)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyFWQVEYMWTQSQEB-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 122126119
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 107069717
1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780337
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
3-methyl-1-prop-2-ynoylpiperidine-2-carboxylic acid
CID 107069872
1-[cyclopentyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071305
(2R,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 163339159
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107180503
3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
CID 107069118
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid (CID 107175978) is 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid is CC1CCCC1C(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid?
The InChIKey is FWQVEYMWTQSQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-5-3-7-11(9)13(16)15-8-4-6-10(2)12(15)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid?
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107175978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).