tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate

C24H29N3O4 — CID 10949913

IUPACtert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)[C@@H](NCc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C24H29N3O4/c1-24(2,3)31-22(29)19-16-26(4)23(30)27(19)21(28)20(18-13-9-6-10-14-18)25-15-17-11-7-5-8-12-17/h5-14,19-20,25H,15-16H2,1-4H3/t19-,20-/m0/s1
InChIKeyNSVSBZUGTBDDOA-PMACEKPBSA-N
MW423.51 g/mol
LogP3.12
Rot. Bonds6

About tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate

tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 10949913) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate
PubChem CID10949913
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Nametert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)[C@@H](NCc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C24H29N3O4/c1-24(2,3)31-22(29)19-16-26(4)23(30)27(19)21(28)20(18-13-9-6-10-14-18)25-15-17-11-7-5-8-12-17/h5-14,19-20,25H,15-16H2,1-4H3/t19-,20-/m0/s1
InChIKeyNSVSBZUGTBDDOA-PMACEKPBSA-N
XLogP3.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl 2-[(2S)-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]propanedioate
CID 10504254
tert-butyl (4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 14801864
(4S)-3-[(2R)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one
CID 10736440
(4S)-3-[(2S)-2-(benzylamino)propanoyl]-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]imidazolidin-2-one
CID 10736439
tert-butyl (4S)-3-(2,4-dibromobutanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 10836259
2-[(2R)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioic acid
CID 11795258
dimethyl 2-[(2R)-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxobutan-2-yl]propanedioate
CID 10573061
dimethyl 2-[(2S)-4-methyl-1-[(5S)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidin-1-yl]-1-oxopentan-2-yl]propanedioate
CID 10836280
2-O-tert-butyl 4-O-methyl (2R,4S)-1-[(1R)-2-(benzylamino)-1-phenylethyl]pyrrolidine-2,4-dicarboxylate
CID 10873850
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
tert-butyl 1-[(1S)-1-phenylethyl]aziridine-2-carboxylate
CID 101000098
benzyl (4S)-1-methyl-2-oxo-3-[(2S)-2-[[(2S)-1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl]amino]propanoyl]imidazolidine-4-carboxylate
CID 14801869

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate (CID 10949913) is tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate is CN1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)[C@@H](NCc2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is NSVSBZUGTBDDOA-PMACEKPBSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-24(2,3)31-22(29)19-16-26(4)23(30)27(19)21(28)20(18-13-9-6-10-14-18)25-15-17-11-7-5-8-12-17/h5-14,19-20,25H,15-16H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate?
tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-3-[(2S)-2-(benzylamino)-2-phenylacetyl]-1-methyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 10949913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).