2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid

C8H10O5 — CID 123668596

IUPAC2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid
SMILESO=C(O)CC1CC(=O)CC1C(=O)O
InChIInChI=1S/C8H10O5/c9-5-1-4(2-7(10)11)6(3-5)8(12)13/h4,6H,1-3H2,(H,10,11)(H,12,13)
InChIKeyMNVOWABBGHIIAU-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.14
Rot. Bonds3

About 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid

2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid (PubChem CID 123668596) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid
PubChem CID123668596
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid
SMILESO=C(O)CC1CC(=O)CC1C(=O)O
InChIInChI=1S/C8H10O5/c9-5-1-4(2-7(10)11)6(3-5)8(12)13/h4,6H,1-3H2,(H,10,11)(H,12,13)
InChIKeyMNVOWABBGHIIAU-UHFFFAOYSA-N
XLogP0.14
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2S)-2-butyl-4-oxocyclopentyl]acetic acid
CID 90987434
trans-(1S,2R)-4-oxo-2-(3-phenylpropyl)cyclopentane-1-carboxylic acid
CID 22819708
2-acetyl-4-oxocyclopentane-1-carboxylic acid
CID 123330818
2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetic acid;sulfuric acid
CID 67439900
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-[(1R,2R)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769500
2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769504
trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
CID 118988969
cis-(3S,4R)-3,4-bis(hydroxymethyl)cyclopentan-1-one
CID 11389450
trans-(1S,3S)-3-methyl-5-oxocyclohexane-1-carboxylic acid
CID 124706942
cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 27443852
trans-methyl (1S,2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 57027626

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid (CID 123668596) is 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid is O=C(O)CC1CC(=O)CC1C(=O)O.
What is the InChIKey of 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid?
The InChIKey is MNVOWABBGHIIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c9-5-1-4(2-7(10)11)6(3-5)8(12)13/h4,6H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid?
2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid has a molecular weight of 186.16 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-4-oxocyclopentane-1-carboxylic acid is sourced from PubChem (CID 123668596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).