2-[1-(hydroxymethyl)cyclopropyl]acetic acid

C6H10O3 — CID 22404474

IUPAC2-[1-(hydroxymethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CO)CC1
InChIInChI=1S/C6H10O3/c7-4-6(1-2-6)3-5(8)9/h7H,1-4H2,(H,8,9)
InChIKeyOVMNWDIMDCLADX-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.23
Rot. Bonds3

About 2-[1-(hydroxymethyl)cyclopropyl]acetic acid

2-[1-(hydroxymethyl)cyclopropyl]acetic acid (PubChem CID 22404474) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)cyclopropyl]acetic acid
PubChem CID22404474
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-[1-(hydroxymethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CO)CC1
InChIInChI=1S/C6H10O3/c7-4-6(1-2-6)3-5(8)9/h7H,1-4H2,(H,8,9)
InChIKeyOVMNWDIMDCLADX-UHFFFAOYSA-N
XLogP0.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(hydroxymethyl)cyclopropyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(hydroxymethyl)cyclopropyl]acetic acid (CID 22404474) is 2-[1-(hydroxymethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(hydroxymethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(hydroxymethyl)cyclopropyl]acetic acid is O=C(O)CC1(CO)CC1.
What is the InChIKey of 2-[1-(hydroxymethyl)cyclopropyl]acetic acid?
The InChIKey is OVMNWDIMDCLADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-4-6(1-2-6)3-5(8)9/h7H,1-4H2,(H,8,9).
What are the key properties of 2-[1-(hydroxymethyl)cyclopropyl]acetic acid?
2-[1-(hydroxymethyl)cyclopropyl]acetic acid has a molecular weight of 130.14 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 22404474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).