2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid

C10H16O4 — CID 15560389

IUPAC2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C(C)C(=O)O)C1C(=O)O
InChIInChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyOIFCPZGZZQQDNO-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds3

About 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid

2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid (PubChem CID 15560389) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid
PubChem CID15560389
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C(C)C(=O)O)C1C(=O)O
InChIInChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyOIFCPZGZZQQDNO-UHFFFAOYSA-N
XLogP1.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid (CID 15560389) is 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid is CC1CCC(C(C)C(=O)O)C1C(=O)O.
What is the InChIKey of 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid?
The InChIKey is OIFCPZGZZQQDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid?
2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxyethyl)-5-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 15560389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).