methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate

C9H17NO3 — CID 115648226

IUPACmethyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C9H17NO3/c1-13-9(12)7-10-4-2-8(6-10)3-5-11/h8,11H,2-7H2,1H3
InChIKeyLPVBZKDHKDFALZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.14
Rot. Bonds4

About methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate

methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate (PubChem CID 115648226) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
PubChem CID115648226
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C9H17NO3/c1-13-9(12)7-10-4-2-8(6-10)3-5-11/h8,11H,2-7H2,1H3
InChIKeyLPVBZKDHKDFALZ-UHFFFAOYSA-N
XLogP-0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(2-hydroxyethyl)pyrrolidin-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-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 62356988
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 115648213
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132
methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 62358151
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
ethyl 2-(3-propylpyrrolidin-1-yl)acetate
CID 115667565
methyl 2-(4-bromopiperidin-1-yl)acetate
CID 156858791
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 115648180

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate (CID 115648226) is methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate is COC(=O)CN1CCC(CCO)C1.
What is the InChIKey of methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate?
The InChIKey is LPVBZKDHKDFALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-9(12)7-10-4-2-8(6-10)3-5-11/h8,11H,2-7H2,1H3.
What are the key properties of methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate?
methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate has a molecular weight of 187.24 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 115648226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).