N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide

C8H16N2O3 — CID 106672120

IUPACN-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CC(O)C(O)C1
InChIInChI=1S/C8H16N2O3/c1-6(11)9-2-3-10-4-7(12)8(13)5-10/h7-8,12-13H,2-5H2,1H3,(H,9,11)
InChIKeyNVNKFKKAEFDGDT-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.84
Rot. Bonds3

About N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide

N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide (PubChem CID 106672120) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
PubChem CID106672120
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CC(O)C(O)C1
InChIInChI=1S/C8H16N2O3/c1-6(11)9-2-3-10-4-7(12)8(13)5-10/h7-8,12-13H,2-5H2,1H3,(H,9,11)
InChIKeyNVNKFKKAEFDGDT-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

N-[[(3R,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]methyl]acetamide
CID 132092666
N-[2-[[(2S)-2-hydroxybutyl]-propan-2-ylamino]ethyl]acetamide
CID 121525553
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79419412
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103915759
1-(3,4-Dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 106669187
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106672119
2-fluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethylpropanamide
CID 130562024
1-[3-(2,3-Dihydroxypropylamino)propyl]pyrrolidin-2-one
CID 3340970
N-(4-acetamido-2,3-dihydroxybutyl)acetamide
CID 4485754
N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
CID 11852258
3-[(2-Isopropylcarbonylamino)ethylamino]1,2-propanediol
CID 14347794
(2-Aminoacetyl)-(2,3-dihydroxypropyl)-dimethylazanium
CID 20557421

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide (CID 106672120) is N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide is CC(=O)NCCN1CC(O)C(O)C1.
What is the InChIKey of N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is NVNKFKKAEFDGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)9-2-3-10-4-7(12)8(13)5-10/h7-8,12-13H,2-5H2,1H3,(H,9,11).
What are the key properties of N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide?
N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide 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 N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 106672120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).