3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one

C9H18N2O2 — CID 79267295

IUPAC3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
SMILESCC(C)C(CO)N1CCC(N)C1=O
InChIInChI=1S/C9H18N2O2/c1-6(2)8(5-12)11-4-3-7(10)9(11)13/h6-8,12H,3-5,10H2,1-2H3
InChIKeyRKSFWDMVMBBSIN-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.44
Rot. Bonds3

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

3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one (PubChem CID 79267295) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
PubChem CID79267295
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
SMILESCC(C)C(CO)N1CCC(N)C1=O
InChIInChI=1S/C9H18N2O2/c1-6(2)8(5-12)11-4-3-7(10)9(11)13/h6-8,12H,3-5,10H2,1-2H3
InChIKeyRKSFWDMVMBBSIN-UHFFFAOYSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one (CID 79267295) is 3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one is CC(C)C(CO)N1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one?
The InChIKey is RKSFWDMVMBBSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)8(5-12)11-4-3-7(10)9(11)13/h6-8,12H,3-5,10H2,1-2H3.
What are the key properties of 3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one?
3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 79267295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).