(3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one

C20H23N2O4P — CID 175537656

IUPAC(3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one
SMILESNC(C[C@@H]1CCNC1=O)C(=O)COP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N2O4P/c21-18(13-15-11-12-22-20(15)24)19(23)14-26-27(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14,21H2,(H,22,24)/t15-,18?/m0/s1
InChIKeyFJMCRUAMIHLUQB-BUSXIPJBSA-N
MW386.39 g/mol
LogP1.35
Rot. Bonds8

About (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one

(3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one (PubChem CID 175537656) has the molecular formula C20H23N2O4P and a molecular weight of 386.39 g/mol. Its IUPAC name is (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one
PubChem CID175537656
Molecular FormulaC20H23N2O4P
Molecular Weight386.39 g/mol
Exact Mass386.14
IUPAC Name(3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one
SMILESNC(C[C@@H]1CCNC1=O)C(=O)COP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N2O4P/c21-18(13-15-11-12-22-20(15)24)19(23)14-26-27(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14,21H2,(H,22,24)/t15-,18?/m0/s1
InChIKeyFJMCRUAMIHLUQB-BUSXIPJBSA-N
XLogP1.35
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(2S)-2-amino-4-[methyl(phenyl)phosphoryl]oxy-3-oxobutyl]pyrrolidin-2-one
CID 166170344
[(2S)-4-[methyl(phenyl)phosphoryl]oxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] carbamate
CID 175537617
(3S)-3-[2-amino-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]pyrrolidin-2-one
CID 175537606
(3S)-3-[(2S)-2-amino-3-oxo-4-(trifluoromethoxy)butyl]pyrrolidin-2-one;hydrochloride
CID 166170193
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
(3S)-3-[2-amino-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butyl]pyrrolidin-2-one;hydrochloride
CID 175537684
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(3S)-3-[2-amino-4-(2,4-difluorophenoxy)-3-oxobutyl]pyrrolidin-2-one;hydrochloride
CID 175801555
methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 163323578
(3S)-1-diphenylphosphoryloxy-3-(methylamino)pentan-2-one
CID 59924092
(3S)-3-[(2S)-2-amino-3-(1H-benzimidazol-2-yl)-3-oxopropyl]pyrrolidin-2-one
CID 162695418
benzyl (E,4S)-4-amino-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 170051086

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one (CID 175537656) is (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one is NC(C[C@@H]1CCNC1=O)C(=O)COP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one?
The InChIKey is FJMCRUAMIHLUQB-BUSXIPJBSA-N. The full InChI is InChI=1S/C20H23N2O4P/c21-18(13-15-11-12-22-20(15)24)19(23)14-26-27(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14,21H2,(H,22,24)/t15-,18?/m0/s1.
What are the key properties of (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one?
(3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one has a molecular weight of 386.39 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-amino-4-diphenylphosphoryloxy-3-oxobutyl)pyrrolidin-2-one is sourced from PubChem (CID 175537656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).