2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one

C10H20N2O2 — CID 62941903

IUPAC2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(CN)C(=O)N1CCC(O)C1
InChIInChI=1S/C10H20N2O2/c1-7(2)9(5-11)10(14)12-4-3-8(13)6-12/h7-9,13H,3-6,11H2,1-2H3
InChIKeySQLWRYNOOJGSFS-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.19
Rot. Bonds3

About 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one

2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one (PubChem CID 62941903) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
PubChem CID62941903
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(CN)C(=O)N1CCC(O)C1
InChIInChI=1S/C10H20N2O2/c1-7(2)9(5-11)10(14)12-4-3-8(13)6-12/h7-9,13H,3-6,11H2,1-2H3
InChIKeySQLWRYNOOJGSFS-UHFFFAOYSA-N
XLogP-0.19
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one (CID 62941903) is 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one is CC(C)C(CN)C(=O)N1CCC(O)C1.
What is the InChIKey of 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The InChIKey is SQLWRYNOOJGSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)9(5-11)10(14)12-4-3-8(13)6-12/h7-9,13H,3-6,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 62941903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).