3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one

C10H20N2O2 — CID 130834947

IUPAC3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one
SMILESCC(N)C(C)C(=O)N1CC(C)C(O)C1
InChIInChI=1S/C10H20N2O2/c1-6-4-12(5-9(6)13)10(14)7(2)8(3)11/h6-9,13H,4-5,11H2,1-3H3
InChIKeyHRQSDEOVKKCDIL-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.19
Rot. Bonds2

About 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one

3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one (PubChem CID 130834947) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one
PubChem CID130834947
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one
SMILESCC(N)C(C)C(=O)N1CC(C)C(O)C1
InChIInChI=1S/C10H20N2O2/c1-6-4-12(5-9(6)13)10(14)7(2)8(3)11/h6-9,13H,4-5,11H2,1-3H3
InChIKeyHRQSDEOVKKCDIL-UHFFFAOYSA-N
XLogP-0.19
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one (CID 130834947) is 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one is CC(N)C(C)C(=O)N1CC(C)C(O)C1.
What is the InChIKey of 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one?
The InChIKey is HRQSDEOVKKCDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6-4-12(5-9(6)13)10(14)7(2)8(3)11/h6-9,13H,4-5,11H2,1-3H3.
What are the key properties of 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one?
3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 130834947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).