methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate

C10H18O4 — CID 10750624

IUPACmethyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate
SMILESCOC(=O)C[C@]1(C)CC[C@@H](O)[C@H]1CO
InChIInChI=1S/C10H18O4/c1-10(5-9(13)14-2)4-3-8(12)7(10)6-11/h7-8,11-12H,3-6H2,1-2H3/t7-,8-,10+/m1/s1
InChIKeyBIVYXHRTVHHBPH-MRTMQBJTSA-N
MW202.25 g/mol
LogP0.32
Rot. Bonds3

About methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate

methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate (PubChem CID 10750624) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate
PubChem CID10750624
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate
SMILESCOC(=O)C[C@]1(C)CC[C@@H](O)[C@H]1CO
InChIInChI=1S/C10H18O4/c1-10(5-9(13)14-2)4-3-8(12)7(10)6-11/h7-8,11-12H,3-6H2,1-2H3/t7-,8-,10+/m1/s1
InChIKeyBIVYXHRTVHHBPH-MRTMQBJTSA-N
XLogP0.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate
CID 67558569
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
methyl 2-[(1R,6R)-6-hydroxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate
CID 11253130
methyl 2-(1-amino-4-tert-butyl-4-methylcyclohexyl)acetate
CID 70866796
methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate
CID 155402586
methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
CID 171036863
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
methyl 2-[(1S,3S,4R)-3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl]acetate
CID 98469645
methyl 2-(2-acetyl-1-methylcyclopent-2-en-1-yl)acetate
CID 101166725
methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate
CID 130129881
methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304
(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
CID 102463401

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate?
The IUPAC name of methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate (CID 10750624) is methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate is COC(=O)C[C@]1(C)CC[C@@H](O)[C@H]1CO.
What is the InChIKey of methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate?
The InChIKey is BIVYXHRTVHHBPH-MRTMQBJTSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(5-9(13)14-2)4-3-8(12)7(10)6-11/h7-8,11-12H,3-6H2,1-2H3/t7-,8-,10+/m1/s1.
What are the key properties of methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate?
methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate has a molecular weight of 202.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate is sourced from PubChem (CID 10750624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).