3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid

C10H16O4 — CID 123687434

IUPAC3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)CC1CC(=O)O
InChIInChI=1S/C10H16O4/c1-2-6-3-8(10(13)14)4-7(6)5-9(11)12/h6-8H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyGHBFZFVVOWIRDG-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.60
Rot. Bonds4

About 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid

3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 123687434) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid
PubChem CID123687434
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)CC1CC(=O)O
InChIInChI=1S/C10H16O4/c1-2-6-3-8(10(13)14)4-7(6)5-9(11)12/h6-8H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyGHBFZFVVOWIRDG-UHFFFAOYSA-N
XLogP1.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(2-methylbutan-2-yl)cyclohexane-1,3-dicarboxylic acid
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acetic acid;2-(2-octylcyclopropyl)acetic acid
CID 67849608
3-methylcyclobutane-1-carboxylic acid
CID 3044406
cyclopentanecarboxylic acid;propanal
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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid (CID 123687434) is 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)CC1CC(=O)O.
What is the InChIKey of 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is GHBFZFVVOWIRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-6-3-8(10(13)14)4-7(6)5-9(11)12/h6-8H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid?
3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 123687434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).