methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate

C10H16O4 — CID 102320024

IUPACmethyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](CC=O)C[C@H](O)[C@@H]1C
InChIInChI=1S/C10H16O4/c1-6-8(12)5-7(3-4-11)9(6)10(13)14-2/h4,6-9,12H,3,5H2,1-2H3/t6-,7-,8-,9+/m0/s1
InChIKeyLXSAYHHNNBSFRW-XSPKLOCKSA-N
MW200.23 g/mol
LogP0.38
Rot. Bonds3

About methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate

methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate (PubChem CID 102320024) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate
PubChem CID102320024
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](CC=O)C[C@H](O)[C@@H]1C
InChIInChI=1S/C10H16O4/c1-6-8(12)5-7(3-4-11)9(6)10(13)14-2/h4,6-9,12H,3,5H2,1-2H3/t6-,7-,8-,9+/m0/s1
InChIKeyLXSAYHHNNBSFRW-XSPKLOCKSA-N
XLogP0.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate 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 methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate (CID 102320024) is methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate is COC(=O)[C@H]1[C@@H](CC=O)C[C@H](O)[C@@H]1C.
What is the InChIKey of methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate?
The InChIKey is LXSAYHHNNBSFRW-XSPKLOCKSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-8(12)5-7(3-4-11)9(6)10(13)14-2/h4,6-9,12H,3,5H2,1-2H3/t6-,7-,8-,9+/m0/s1.
What are the key properties of methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate?
methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 102320024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).