ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate

C8H15NO4 — CID 106670125

IUPACethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate
SMILESCCOC(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C8H15NO4/c1-2-13-8(12)5-9-3-6(10)7(11)4-9/h6-7,10-11H,2-5H2,1H3
InChIKeyNNRHFGYUGQZGBY-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.41
Rot. Bonds3

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

ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate (PubChem CID 106670125) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate
PubChem CID106670125
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate
SMILESCCOC(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C8H15NO4/c1-2-13-8(12)5-9-3-6(10)7(11)4-9/h6-7,10-11H,2-5H2,1H3
InChIKeyNNRHFGYUGQZGBY-UHFFFAOYSA-N
XLogP-1.41
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-methoxypyrrolidin-1-yl]acetic acid
CID 96551907
2-[(2-Hydroxy-3-propoxypropyl)-dimethylazaniumyl]acetate
CID 21014969
Carboxymethyl-(2-hydroxy-3-propoxypropyl)-dimethylazanium
CID 21014970
1-Butoxy-3-(1-methylpyrrolidin-1-ium-1-yl)propan-2-ol acetate
CID 21652531
Carboxymethyl-[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl]-dimethylazanium
CID 22355182
Carboxymethyl-[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl]-dimethylazanium hydroxide
CID 22355184
ethyl (S)-(-)-2-(3-hydroxy-1-pyrrolidinyl)acetate
CID 54107293
Ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57170246
Ethyl 2-(3-hydroxypyrrolidin-1-yl)acetate
CID 57175206
1,1-Dimethylethyl 3-hydroxy-1-pyrrolidineacetate
CID 62916653
2-[(2-Hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
CID 63989472
tert-butyl 2-[(3S)-3-hydroxypyrrolidin-1-yl]acetate
CID 64114277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate (CID 106670125) is ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate is CCOC(=O)CN1CC(O)C(O)C1.
What is the InChIKey of ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate?
The InChIKey is NNRHFGYUGQZGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-2-13-8(12)5-9-3-6(10)7(11)4-9/h6-7,10-11H,2-5H2,1H3.
What are the key properties of ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate?
ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate has a molecular weight of 189.21 g/mol, XLogP of -1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate is sourced from PubChem (CID 106670125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).