(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

C33H29N3O6 — CID 10257300

IUPAC(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)OCc1ccccc1
InChIInChI=1S/C33H29N3O6/c37-29(28(21-24-13-5-1-6-14-24)34-32(40)41-22-25-15-7-2-8-16-25)42-23-36-30(38)33(35-31(36)39,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2,(H,34,40)(H,35,39)/t28-/m1/s1
InChIKeyIAPAPRMQZZVLJI-MUUNZHRXSA-N
MW563.61 g/mol
LogP4.52
Rot. Bonds10

About (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 10257300) has the molecular formula C33H29N3O6 and a molecular weight of 563.61 g/mol. Its IUPAC name is (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID10257300
Molecular FormulaC33H29N3O6
Molecular Weight563.61 g/mol
Exact Mass563.21
IUPAC Name(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)OCc1ccccc1
InChIInChI=1S/C33H29N3O6/c37-29(28(21-24-13-5-1-6-14-24)34-32(40)41-22-25-15-7-2-8-16-25)42-23-36-30(38)33(35-31(36)39,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2,(H,34,40)(H,35,39)/t28-/m1/s1
InChIKeyIAPAPRMQZZVLJI-MUUNZHRXSA-N
XLogP4.52
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.61
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 13169996
(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 3916130
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
benzyl (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 14420293
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 23678665
benzyl N-[(2S)-1-oxo-1-[(1-oxo-1,3-diphenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamate
CID 12968144
benzyl N-[(2S)-1-oxo-3-phenyl-1-[16-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexadecylamino]propan-2-yl]carbamate
CID 71491760
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (CID 10257300) is (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is O=C(N[C@H](Cc1ccccc1)C(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)OCc1ccccc1.
What is the InChIKey of (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is IAPAPRMQZZVLJI-MUUNZHRXSA-N. The full InChI is InChI=1S/C33H29N3O6/c37-29(28(21-24-13-5-1-6-14-24)34-32(40)41-22-25-15-7-2-8-16-25)42-23-36-30(38)33(35-31(36)39,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2,(H,34,40)(H,35,39)/t28-/m1/s1.
What are the key properties of (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 563.61 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 10257300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).