ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate

C8H15NO3 — CID 57170246

IUPACethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
SMILESCCOC(=O)C(O)N1CCCC1
InChIInChI=1S/C8H15NO3/c1-2-12-8(11)7(10)9-5-3-4-6-9/h7,10H,2-6H2,1H3
InChIKeyQRFUGVHGKTXUMW-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.04
Rot. Bonds3

About ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate

ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate (PubChem CID 57170246) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
PubChem CID57170246
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
SMILESCCOC(=O)C(O)N1CCCC1
InChIInChI=1S/C8H15NO3/c1-2-12-8(11)7(10)9-5-3-4-6-9/h7,10H,2-6H2,1H3
InChIKeyQRFUGVHGKTXUMW-UHFFFAOYSA-N
XLogP-0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-Fluoropyrrolidin-1-yl)ethoxy]acetic acid
CID 167713960
2-Hydroxy-2-pyrrolidin-1-ylacetic acid
CID 9855506
Tert-butyl 2-[1-(hydroxymethyl)pyrrolidin-1-ium-1-yl]-2-methoxyacetate
CID 17858825
Tert-butyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57454288
(1-Methyl-pyrrolidin-3-yloxy)-acetic acid
CID 58492295
Tert-butyl 2-hydroxy-2-(3-hydroxypyrrolidin-1-yl)acetate
CID 69334235
tert-butyl (2S)-2-hydroxy-2-(3-hydroxypyrrolidin-1-yl)acetate
CID 69334236
Ethyl 2-methoxy-2-pyrrolidin-1-ylacetate
CID 69744773
Butyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 70341390
2-Methoxy-2-pyrrolidin-1-ylacetic acid
CID 83681022
Methyl 2-(dibutylamino)-2-hydroxyacetate
CID 139781491
Methyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 139781505

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate?
The IUPAC name of ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate (CID 57170246) is ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate?
The canonical SMILES for ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate is CCOC(=O)C(O)N1CCCC1.
What is the InChIKey of ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate?
The InChIKey is QRFUGVHGKTXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-12-8(11)7(10)9-5-3-4-6-9/h7,10H,2-6H2,1H3.
What are the key properties of ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate?
ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate has a molecular weight of 173.21 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 57170246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).