cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C7H12O3 — CID 67120920

IUPACcis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)[C@@H](CO)[C@@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-7(2)4(3-8)5(7)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5+/m0/s1
InChIKeyGZVJRUASQZSDKH-CRCLSJGQSA-N
MW144.17 g/mol
LogP0.34
Rot. Bonds2

About cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 67120920) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID67120920
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)[C@@H](CO)[C@@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-7(2)4(3-8)5(7)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5+/m0/s1
InChIKeyGZVJRUASQZSDKH-CRCLSJGQSA-N
XLogP0.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 67120920) is cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)[C@@H](CO)[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is GZVJRUASQZSDKH-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(2)4(3-8)5(7)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5+/m0/s1.
What are the key properties of cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 67120920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).