methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate

C10H17NO4 — CID 106670161

IUPACmethyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate
SMILESCOC(=O)C(C1CC1)N1CC(O)C(O)C1
InChIInChI=1S/C10H17NO4/c1-15-10(14)9(6-2-3-6)11-4-7(12)8(13)5-11/h6-9,12-13H,2-5H2,1H3
InChIKeyGOIHRJMXFURISB-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.02
Rot. Bonds3

About methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate

methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate (PubChem CID 106670161) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate
PubChem CID106670161
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate
SMILESCOC(=O)C(C1CC1)N1CC(O)C(O)C1
InChIInChI=1S/C10H17NO4/c1-15-10(14)9(6-2-3-6)11-4-7(12)8(13)5-11/h6-9,12-13H,2-5H2,1H3
InChIKeyGOIHRJMXFURISB-UHFFFAOYSA-N
XLogP-1.02
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)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-chloro-2-cyclopropylacetate
CID 15659586
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid
CID 79695810
methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate
CID 58137906
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998
methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride
CID 168869066
dimethyl 2-(4-methylcyclohexyl)propanedioate
CID 103972492
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
methyl 2-(4-methylcyclohexyl)propanoate
CID 22035514
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate (CID 106670161) is methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate is COC(=O)C(C1CC1)N1CC(O)C(O)C1.
What is the InChIKey of methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate?
The InChIKey is GOIHRJMXFURISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-10(14)9(6-2-3-6)11-4-7(12)8(13)5-11/h6-9,12-13H,2-5H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate?
methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate has a molecular weight of 215.25 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(3,4-dihydroxypyrrolidin-1-yl)acetate is sourced from PubChem (CID 106670161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).