N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide

C7H14N2O3 — CID 67372430

IUPACN-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1NCC(O)C1O
InChIInChI=1S/C7H14N2O3/c1-4(10)9(2)7-6(12)5(11)3-8-7/h5-8,11-12H,3H2,1-2H3
InChIKeyFFLWOGNLPWRXBO-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.88
Rot. Bonds1

About N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide

N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide (PubChem CID 67372430) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide
PubChem CID67372430
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC NameN-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1NCC(O)C1O
InChIInChI=1S/C7H14N2O3/c1-4(10)9(2)7-6(12)5(11)3-8-7/h5-8,11-12H,3H2,1-2H3
InChIKeyFFLWOGNLPWRXBO-UHFFFAOYSA-N
XLogP-1.88
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide?
The IUPAC name of N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide (CID 67372430) is N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide is CC(=O)N(C)C1NCC(O)C1O.
What is the InChIKey of N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide?
The InChIKey is FFLWOGNLPWRXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(10)9(2)7-6(12)5(11)3-8-7/h5-8,11-12H,3H2,1-2H3.
What are the key properties of N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide?
N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide has a molecular weight of 174.20 g/mol, XLogP of -1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide is sourced from PubChem (CID 67372430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).