(3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one

C15H21N2O4P — CID 166170344

IUPAC(3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one
SMILESCP(=O)(OCC(=O)[C@@H](N)C[C@@H]1CCNC1=O)c1ccccc1
InChIInChI=1S/C15H21N2O4P/c1-22(20,12-5-3-2-4-6-12)21-10-14(18)13(16)9-11-7-8-17-15(11)19/h2-6,11,13H,7-10,16H2,1H3,(H,17,19)/t11-,13-,22?/m0/s1
InChIKeyASZNJZJRWKJCEU-UNVMKQBOSA-N
MW324.32 g/mol
LogP0.66
Rot. Bonds7

About (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one

(3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one (PubChem CID 166170344) has the molecular formula C15H21N2O4P and a molecular weight of 324.32 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one
PubChem CID166170344
Molecular FormulaC15H21N2O4P
Molecular Weight324.32 g/mol
Exact Mass324.12
IUPAC Name(3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one
SMILESCP(=O)(OCC(=O)[C@@H](N)C[C@@H]1CCNC1=O)c1ccccc1
InChIInChI=1S/C15H21N2O4P/c1-22(20,12-5-3-2-4-6-12)21-10-14(18)13(16)9-11-7-8-17-15(11)19/h2-6,11,13H,7-10,16H2,1H3,(H,17,19)/t11-,13-,22?/m0/s1
InChIKeyASZNJZJRWKJCEU-UNVMKQBOSA-N
XLogP0.66
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one (CID 166170344) is (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one is CP(=O)(OCC(=O)[C@@H](N)C[C@@H]1CCNC1=O)c1ccccc1.
What is the InChIKey of (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one?
The InChIKey is ASZNJZJRWKJCEU-UNVMKQBOSA-N. The full InChI is InChI=1S/C15H21N2O4P/c1-22(20,12-5-3-2-4-6-12)21-10-14(18)13(16)9-11-7-8-17-15(11)19/h2-6,11,13H,7-10,16H2,1H3,(H,17,19)/t11-,13-,22?/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one?
(3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one has a molecular weight of 324.32 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 166170344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).