2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide

C9H18N2O3 — CID 90854040

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)N1CC(O)C(O)C1
InChIInChI=1S/C9H18N2O3/c1-5(2)8(9(10)14)11-3-6(12)7(13)4-11/h5-8,12-13H,3-4H2,1-2H3,(H2,10,14)
InChIKeyYLLWAIHLYACGIN-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.47
Rot. Bonds3

About 2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide

2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide (PubChem CID 90854040) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide
PubChem CID90854040
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)N1CC(O)C(O)C1
InChIInChI=1S/C9H18N2O3/c1-5(2)8(9(10)14)11-3-6(12)7(13)4-11/h5-8,12-13H,3-4H2,1-2H3,(H2,10,14)
InChIKeyYLLWAIHLYACGIN-UHFFFAOYSA-N
XLogP-1.47
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide (CID 90854040) is 2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide is CC(C)C(C(N)=O)N1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide?
The InChIKey is YLLWAIHLYACGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5(2)8(9(10)14)11-3-6(12)7(13)4-11/h5-8,12-13H,3-4H2,1-2H3,(H2,10,14).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbutanamide has a molecular weight of 202.25 g/mol, XLogP of -1.47, 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)-3-methylbutanamide is sourced from PubChem (CID 90854040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).