[(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate

C18H17N3O4 — CID 94103638

IUPAC[(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate
SMILESNC(=O)[C@H](OC(=O)c1cccc(N2CCNC2=O)c1)c1ccccc1
InChIInChI=1S/C18H17N3O4/c19-16(22)15(12-5-2-1-3-6-12)25-17(23)13-7-4-8-14(11-13)21-10-9-20-18(21)24/h1-8,11,15H,9-10H2,(H2,19,22)(H,20,24)/t15-/m1/s1
InChIKeyPWXOEBNJIPGOGG-OAHLLOKOSA-N
MW339.35 g/mol
LogP1.60
Rot. Bonds5

About [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate

[(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 94103638) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Name[(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID94103638
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate
SMILESNC(=O)[C@H](OC(=O)c1cccc(N2CCNC2=O)c1)c1ccccc1
InChIInChI=1S/C18H17N3O4/c19-16(22)15(12-5-2-1-3-6-12)25-17(23)13-7-4-8-14(11-13)21-10-9-20-18(21)24/h1-8,11,15H,9-10H2,(H2,19,22)(H,20,24)/t15-/m1/s1
InChIKeyPWXOEBNJIPGOGG-OAHLLOKOSA-N
XLogP1.60
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94815046
[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94815045
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate
CID 41332962
(2-amino-2-oxo-1-phenylethyl) 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 46691627
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
(2R)-2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 124607892
2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 122160047
(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55486036
(3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide
CID 97245775
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 146135248
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 55449940

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate (CID 94103638) is [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate is NC(=O)[C@H](OC(=O)c1cccc(N2CCNC2=O)c1)c1ccccc1.
What is the InChIKey of [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is PWXOEBNJIPGOGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N3O4/c19-16(22)15(12-5-2-1-3-6-12)25-17(23)13-7-4-8-14(11-13)21-10-9-20-18(21)24/h1-8,11,15H,9-10H2,(H2,19,22)(H,20,24)/t15-/m1/s1.
What are the key properties of [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate?
[(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 339.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 94103638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).