6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H23NO3 — CID 107411349

IUPAC6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2CC=CCC2C(=O)O)C1
InChIInChI=1S/C15H23NO3/c1-10-6-7-11(8-10)9-16-14(17)12-4-2-3-5-13(12)15(18)19/h2-3,10-13H,4-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyKXYKCPAUBCGLIL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.21
Rot. Bonds4

About 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 107411349) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID107411349
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2CC=CCC2C(=O)O)C1
InChIInChI=1S/C15H23NO3/c1-10-6-7-11(8-10)9-16-14(17)12-4-2-3-5-13(12)15(18)19/h2-3,10-13H,4-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyKXYKCPAUBCGLIL-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(3-hydroxycyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106120294
(1S,6R)-6-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962327
(1R,6S)-6-(ethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40538429
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
(1S,6R)-6-[(2-methyloxolan-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114104801
6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4055137
(3-methylcyclopentyl)methylurea
CID 20542807
(1S,6S)-6-[(4-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51427698
(1S,6S)-6-(hexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40579321
6-(2-hydroxypropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 60662049
(1S,6R)-6-[[(2S)-2-hydroxypropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 39203617
(1S,6R)-6-(1-cyclopropylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962458

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 107411349) is 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is CC1CCC(CNC(=O)C2CC=CCC2C(=O)O)C1.
What is the InChIKey of 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is KXYKCPAUBCGLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-7-11(8-10)9-16-14(17)12-4-2-3-5-13(12)15(18)19/h2-3,10-13H,4-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 107411349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).