3-amino-1-hydroxy-4-methylpyrrolidin-2-one

C5H10N2O2 — CID 14804746

IUPAC3-amino-1-hydroxy-4-methylpyrrolidin-2-one
SMILESCC1CN(O)C(=O)C1N
InChIInChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3
InChIKeySKYSFPFYQBZGDC-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.82
Rot. Bonds

About 3-amino-1-hydroxy-4-methylpyrrolidin-2-one

3-amino-1-hydroxy-4-methylpyrrolidin-2-one (PubChem CID 14804746) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-amino-1-hydroxy-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-hydroxy-4-methylpyrrolidin-2-one
PubChem CID14804746
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name3-amino-1-hydroxy-4-methylpyrrolidin-2-one
SMILESCC1CN(O)C(=O)C1N
InChIInChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3
InChIKeySKYSFPFYQBZGDC-UHFFFAOYSA-N
XLogP-0.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-hydroxy-4-methylpyrrolidin-2-one?
The IUPAC name of 3-amino-1-hydroxy-4-methylpyrrolidin-2-one (CID 14804746) is 3-amino-1-hydroxy-4-methylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-hydroxy-4-methylpyrrolidin-2-one?
The canonical SMILES for 3-amino-1-hydroxy-4-methylpyrrolidin-2-one is CC1CN(O)C(=O)C1N.
What is the InChIKey of 3-amino-1-hydroxy-4-methylpyrrolidin-2-one?
The InChIKey is SKYSFPFYQBZGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3.
What are the key properties of 3-amino-1-hydroxy-4-methylpyrrolidin-2-one?
3-amino-1-hydroxy-4-methylpyrrolidin-2-one has a molecular weight of 130.15 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hydroxy-4-methylpyrrolidin-2-one is sourced from PubChem (CID 14804746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).