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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Related Compounds

2-[(1S,3S)-3-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentyl]acetic acid
CID 11019846
2-[(1S,3R)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
CID 90658047
2-[(1S,3S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
CID 90659158
2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
CID 84667097
3,4-diethyl-3-methylcyclohexene-1,2-dicarboxylic acid
CID 175560562
2-(8-chloro-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057193
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
CID 130663138
2-(2-tert-butyl-2-methylcyclopropyl)acetic acid
CID 84653843
2-(5-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057405
2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid
CID 84672432
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 117017329
2-(3-methylidenecyclopentyl)acetic acid
CID 55303837

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).