(3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one

C5H10N2O2 — CID 92980363

IUPAC(3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one
SMILESC[C@@H]1CN(O)C(=O)[C@H]1N
InChIInChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4+/m1/s1
InChIKeySKYSFPFYQBZGDC-DMTCNVIQSA-N
MW130.15 g/mol
LogP-0.82
Rot. Bonds

About (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one

(3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one (PubChem CID 92980363) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one
PubChem CID92980363
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one
SMILESC[C@@H]1CN(O)C(=O)[C@H]1N
InChIInChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4+/m1/s1
InChIKeySKYSFPFYQBZGDC-DMTCNVIQSA-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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Related Compounds

(3R,4S)-1-hydroxy-3-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 101355682
3-amino-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpyrrolidin-2-one
CID 70246292
1-hydroxy-3,4-dimethylimidazolidin-2-one
CID 154468014
3-amino-1-methylazetidin-2-one
CID 70338843
(3S)-3-amino-1-methylazetidin-2-one;hydron
CID 131858386
tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate
CID 151181116
3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 4133026
(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 159927921
1-hydroxy-2,4-dimethylpyrazolidin-3-one
CID 19914346
3-amino-4-methylthiolan-2-one
CID 55290586
(3R)-3-amino-1-tert-butylazetidin-2-one
CID 175542547
1-hydroxy-5-oxopyrrolidine-3-carboxylic acid
CID 55300200

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one?
The IUPAC name of (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one (CID 92980363) is (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one is C[C@@H]1CN(O)C(=O)[C@H]1N.
What is the InChIKey of (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one?
The InChIKey is SKYSFPFYQBZGDC-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4+/m1/s1.
What are the key properties of (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one?
(3S,4R)-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 (3S,4R)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one is sourced from PubChem (CID 92980363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).