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

C10H16O3 — CID 7140308

IUPAC2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid
SMILESC=C1CC[C@@H](CC(=O)O)[C@]1(C)CO
InChIInChI=1S/C10H16O3/c1-7-3-4-8(5-9(12)13)10(7,2)6-11/h8,11H,1,3-6H2,2H3,(H,12,13)/t8-,10+/m0/s1
InChIKeyCTRBZPDKCZGWRB-WCBMZHEXSA-N
MW184.23 g/mol
LogP1.43
Rot. Bonds3

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

2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid (PubChem CID 7140308) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid
PubChem CID7140308
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid
SMILESC=C1CC[C@@H](CC(=O)O)[C@]1(C)CO
InChIInChI=1S/C10H16O3/c1-7-3-4-8(5-9(12)13)10(7,2)6-11/h8,11H,1,3-6H2,2H3,(H,12,13)/t8-,10+/m0/s1
InChIKeyCTRBZPDKCZGWRB-WCBMZHEXSA-N
XLogP1.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid (CID 7140308) is 2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid is C=C1CC[C@@H](CC(=O)O)[C@]1(C)CO.
What is the InChIKey of 2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid?
The InChIKey is CTRBZPDKCZGWRB-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-3-4-8(5-9(12)13)10(7,2)6-11/h8,11H,1,3-6H2,2H3,(H,12,13)/t8-,10+/m0/s1.
What are the key properties of 2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid?
2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid has a molecular weight of 184.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]acetic acid is sourced from PubChem (CID 7140308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).