2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide

C8H16N2O3 — CID 106672092

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C8H16N2O3/c1-2-9-8(13)5-10-3-6(11)7(12)4-10/h6-7,11-12H,2-5H2,1H3,(H,9,13)
InChIKeyZJCMZQOWJCXUKN-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.84
Rot. Bonds3

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide (PubChem CID 106672092) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
PubChem CID106672092
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C8H16N2O3/c1-2-9-8(13)5-10-3-6(11)7(12)4-10/h6-7,11-12H,2-5H2,1H3,(H,9,13)
InChIKeyZJCMZQOWJCXUKN-UHFFFAOYSA-N
XLogP-1.84
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide
CID 63873526
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410043
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 22322835
1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 112568166
N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide
CID 130949306
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
N-(ethylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898104
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 106672699

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide (CID 106672092) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide is CCNC(=O)CN1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide?
The InChIKey is ZJCMZQOWJCXUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-9-8(13)5-10-3-6(11)7(12)4-10/h6-7,11-12H,2-5H2,1H3,(H,9,13).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide has a molecular weight of 188.23 g/mol, XLogP of -1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 106672092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).