3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid

C10H16O4 — CID 4092391

IUPAC3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid
SMILESCOC(=O)C1CCC(C(=O)O)C1(C)C
InChIInChI=1S/C10H16O4/c1-10(2)6(8(11)12)4-5-7(10)9(13)14-3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyGUWTYPYGDNFFPO-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds2

About 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid

3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid (PubChem CID 4092391) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid
PubChem CID4092391
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid
SMILESCOC(=O)C1CCC(C(=O)O)C1(C)C
InChIInChI=1S/C10H16O4/c1-10(2)6(8(11)12)4-5-7(10)9(13)14-3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyGUWTYPYGDNFFPO-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,3-Trimethylcyclopentyl)butanoic acid
CID 25099817
Camphoric acid, (-)-
CID 219463
Camphoric Acid
CID 101807
Dimethyl 1,2,2-trimethyl-1,3-cyclopentanedicarboxylate
CID 348846
1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid
CID 21491
(1R,2R,3S,1'R)-Nepetalinic acid
CID 15560389
3-(Methoxycarbonyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 274491
3-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 2736737
4-(Methoxycarbonyl)bicyclo(2.2.1)heptane-1-carboxylic acid
CID 13761774
(1R,2S,4R)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 24982151
(1S,2R,4S)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 15539261
1,2,2,3-Tetramethylcyclopentane-1-carboxylic acid
CID 520510

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid (CID 4092391) is 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid is COC(=O)C1CCC(C(=O)O)C1(C)C.
What is the InChIKey of 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is GUWTYPYGDNFFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2)6(8(11)12)4-5-7(10)9(13)14-3/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid?
3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-2,2-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 4092391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).