2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid

C9H12O5 — CID 90921399

IUPAC2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)O)CCCC1=O
InChIInChI=1S/C9H12O5/c10-6-2-1-3-9(6,4-7(11)12)5-8(13)14/h1-5H2,(H,11,12)(H,13,14)
InChIKeyPXXKFMFHZVKJOG-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.68
Rot. Bonds4

About 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid

2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid (PubChem CID 90921399) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid
PubChem CID90921399
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)O)CCCC1=O
InChIInChI=1S/C9H12O5/c10-6-2-1-3-9(6,4-7(11)12)5-8(13)14/h1-5H2,(H,11,12)(H,13,14)
InChIKeyPXXKFMFHZVKJOG-UHFFFAOYSA-N
XLogP0.68
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
CID 90417728
2-[(1R)-1-hydroxy-2-oxocyclohexyl]acetic acid
CID 24879605
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
3-[(1S)-1-ethyl-2-oxocyclohexyl]propanoic acid
CID 54536642
(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one
CID 10442347
2-[(1S)-1-ethoxycarbonyl-2-oxocyclopentyl]acetic acid
CID 3246182
[(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid
CID 155145151
(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one
CID 134953462
methyl 2-(2-oxo-1-propylcyclohexyl)acetate
CID 18945516
2,2-dimethylcyclohexan-1-one;propanoic acid
CID 70117547
2,2-bis[(dimethylamino)methyl]cyclohexan-1-one
CID 53411153
2-[1-[(2,7-dioxoazepan-1-yl)methyl]cyclobutyl]acetic acid
CID 81164891

Frequently Asked Questions

What is the IUPAC name of 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid?
The IUPAC name of 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid (CID 90921399) is 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid is O=C(O)CC1(CC(=O)O)CCCC1=O.
What is the InChIKey of 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid?
The InChIKey is PXXKFMFHZVKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c10-6-2-1-3-9(6,4-7(11)12)5-8(13)14/h1-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid?
2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid has a molecular weight of 200.19 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid is sourced from PubChem (CID 90921399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).