N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide

C9H16N2O4 — CID 106671584

IUPACN-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C9H16N2O4/c1-6(12)10(2)5-9(15)11-3-7(13)8(14)4-11/h7-8,13-14H,3-5H2,1-2H3
InChIKeyXMISRZKPCQMUPS-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.97
Rot. Bonds2

About N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide

N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide (PubChem CID 106671584) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide
PubChem CID106671584
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC NameN-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C9H16N2O4/c1-6(12)10(2)5-9(15)11-3-7(13)8(14)4-11/h7-8,13-14H,3-5H2,1-2H3
InChIKeyXMISRZKPCQMUPS-UHFFFAOYSA-N
XLogP-1.97
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide (CID 106671584) is N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide is CC(=O)N(C)CC(=O)N1CC(O)C(O)C1.
What is the InChIKey of N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide?
The InChIKey is XMISRZKPCQMUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(12)10(2)5-9(15)11-3-7(13)8(14)4-11/h7-8,13-14H,3-5H2,1-2H3.
What are the key properties of N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide?
N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide has a molecular weight of 216.24 g/mol, XLogP of -1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 106671584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).