2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid

C11H18O3 — CID 11019846

IUPAC2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid
SMILESC=C1C[C@H](CO)C(C)(C)[C@H]1CC(=O)O
InChIInChI=1S/C11H18O3/c1-7-4-8(6-12)11(2,3)9(7)5-10(13)14/h8-9,12H,1,4-6H2,2-3H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyGSLNJDMKORVPMZ-BDAKNGLRSA-N
MW198.26 g/mol
LogP1.67
Rot. Bonds3

About 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid

2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid (PubChem CID 11019846) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid
PubChem CID11019846
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid
SMILESC=C1C[C@H](CO)C(C)(C)[C@H]1CC(=O)O
InChIInChI=1S/C11H18O3/c1-7-4-8(6-12)11(2,3)9(7)5-10(13)14/h8-9,12H,1,4-6H2,2-3H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyGSLNJDMKORVPMZ-BDAKNGLRSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]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-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid (CID 11019846) is 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid is C=C1C[C@H](CO)C(C)(C)[C@H]1CC(=O)O.
What is the InChIKey of 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid?
The InChIKey is GSLNJDMKORVPMZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18O3/c1-7-4-8(6-12)11(2,3)9(7)5-10(13)14/h8-9,12H,1,4-6H2,2-3H3,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid?
2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid has a molecular weight of 198.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid is sourced from PubChem (CID 11019846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).