cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate

C8H14O3 — CID 13425819

IUPACcis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C8H14O3/c1-11-8(10)7-3-2-6(4-7)5-9/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyQFZTZFHLMOJRBN-NKWVEPMBSA-N
MW158.20 g/mol
LogP0.57
Rot. Bonds2

About cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate

cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate (PubChem CID 13425819) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
PubChem CID13425819
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namecis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C8H14O3/c1-11-8(10)7-3-2-6(4-7)5-9/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyQFZTZFHLMOJRBN-NKWVEPMBSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate (CID 13425819) is cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate is COC(=O)[C@@H]1CC[C@H](CO)C1.
What is the InChIKey of cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The InChIKey is QFZTZFHLMOJRBN-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14O3/c1-11-8(10)7-3-2-6(4-7)5-9/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 13425819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).