cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid

C6H10O3 — CID 45076184

IUPACcis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C6H10O3/c7-5-2-1-4(3-5)6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyXWWQLKYMTLWXKN-CRCLSJGQSA-N
MW130.14 g/mol
LogP0.23
Rot. Bonds1

About cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid

cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid (PubChem CID 45076184) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid
PubChem CID45076184
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namecis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C6H10O3/c7-5-2-1-4(3-5)6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyXWWQLKYMTLWXKN-CRCLSJGQSA-N
XLogP0.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid (CID 45076184) is cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is XWWQLKYMTLWXKN-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10O3/c7-5-2-1-4(3-5)6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m0/s1.
What are the key properties of cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 45076184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).