cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate

C6H10O3 — CID 11829472

IUPACcis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1CO
InChIInChI=1S/C6H10O3/c1-9-6(8)5-2-4(5)3-7/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyQMFFTUAKXYCOKM-UHNVWZDZSA-N
MW130.14 g/mol
LogP-0.21
Rot. Bonds2

About cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate

cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate (PubChem CID 11829472) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate
PubChem CID11829472
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namecis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1CO
InChIInChI=1S/C6H10O3/c1-9-6(8)5-2-4(5)3-7/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyQMFFTUAKXYCOKM-UHNVWZDZSA-N
XLogP-0.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate (CID 11829472) is cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@@H]1CO.
What is the InChIKey of cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate?
The InChIKey is QMFFTUAKXYCOKM-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10O3/c1-9-6(8)5-2-4(5)3-7/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate?
cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate has a molecular weight of 130.14 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 11829472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).