3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid

C17H29NO3 — CID 658957

IUPAC3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)NC2CCCCCC2)C1(C)C
InChIInChI=1S/C17H29NO3/c1-16(2)13(10-11-17(16,3)15(20)21)14(19)18-12-8-6-4-5-7-9-12/h12-13H,4-11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyRFBOSQQTDFFWEN-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.35
Rot. Bonds3

About 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid

3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid (PubChem CID 658957) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
PubChem CID658957
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)NC2CCCCCC2)C1(C)C
InChIInChI=1S/C17H29NO3/c1-16(2)13(10-11-17(16,3)15(20)21)14(19)18-12-8-6-4-5-7-9-12/h12-13H,4-11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyRFBOSQQTDFFWEN-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-(Cyclohexylamino)-4-oxobutan-2-yl)heptanoic acid
CID 657819
2-((1-(((1R,2S)-2-propylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11537626
3-(Tert-butylcarbamoyl)-1,2,2-trimethylcyclopentanecarboxylic acid
CID 2836236
3-(Diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 652114
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]-5-methylhexanoic acid
CID 2959256
3-Cyclohexylcarbamoyl-1,2,2-trimethyl-cyclopentanecarboxylic acid
CID 2837985
1-[2-(Cyclohexylamino)-2-oxoethyl]cyclopentaneacetic acid
CID 4387865
2-[1-[2-(Cyclohexylmethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 45267202
1,2,2-Trimethyl-3-[(methylamino)carbonyl]cyclopentanecarboxylic acid
CID 5268664
trans-(1S,3R)-3-(cyclohexylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 750960
(1S,3R)-3-(tert-butylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 776115
2-(1-(2-(Cyclopropylamino)-2-oxoethyl)cyclopentyl)acetic acid
CID 1547707

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid (CID 658957) is 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(C(=O)NC2CCCCCC2)C1(C)C.
What is the InChIKey of 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is RFBOSQQTDFFWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-16(2)13(10-11-17(16,3)15(20)21)14(19)18-12-8-6-4-5-7-9-12/h12-13H,4-11H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 658957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).