2-[3-(hydroxymethyl)cyclopentyl]acetic acid

C8H14O3 — CID 105430907

IUPAC2-[3-(hydroxymethyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(CO)C1
InChIInChI=1S/C8H14O3/c9-5-7-2-1-6(3-7)4-8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChIKeyAGDUAQBUWLBURH-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.87
Rot. Bonds3

About 2-[3-(hydroxymethyl)cyclopentyl]acetic acid

2-[3-(hydroxymethyl)cyclopentyl]acetic acid (PubChem CID 105430907) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)cyclopentyl]acetic acid
PubChem CID105430907
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-[3-(hydroxymethyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(CO)C1
InChIInChI=1S/C8H14O3/c9-5-7-2-1-6(3-7)4-8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChIKeyAGDUAQBUWLBURH-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
2-[(1S,3R)-3-fluorocyclopentyl]acetic acid
CID 105428900
2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
CID 135389382
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
2-(3,4-diaminocyclohexyl)acetic acid
CID 77276745
potassium;hydride;2-(3-methoxycyclopentyl)acetic acid
CID 173013744
2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid
CID 134308641
2-[3-(2-aminoethyl)cyclohexyl]acetic acid
CID 68626637
CID 144774623
CID 144774623
2-[3-(difluoromethoxy)cyclopentyl]acetic acid
CID 84720257
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 174154998

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[3-(hydroxymethyl)cyclopentyl]acetic acid (CID 105430907) is 2-[3-(hydroxymethyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-(hydroxymethyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-(hydroxymethyl)cyclopentyl]acetic acid is O=C(O)CC1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)cyclopentyl]acetic acid?
The InChIKey is AGDUAQBUWLBURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-5-7-2-1-6(3-7)4-8(10)11/h6-7,9H,1-5H2,(H,10,11).
What are the key properties of 2-[3-(hydroxymethyl)cyclopentyl]acetic acid?
2-[3-(hydroxymethyl)cyclopentyl]acetic acid has a molecular weight of 158.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)cyclopentyl]acetic acid is sourced from PubChem (CID 105430907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).