tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate

C24H31N3O4 — CID 10598474

IUPACtert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C24H31N3O4/c1-24(2,3)31-23(30)27(4)20(16-18-13-9-6-10-14-18)22(29)26-19(21(25)28)15-17-11-7-5-8-12-17/h5-14,19-20H,15-16H2,1-4H3,(H2,25,28)(H,26,29)/t19-,20?/m1/s1
InChIKeyPMOSFSDURALSCQ-FIWHBWSRSA-N
MW425.53 g/mol
LogP2.68
Rot. Bonds8

About tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate

tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate (PubChem CID 10598474) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
PubChem CID10598474
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Nametert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C24H31N3O4/c1-24(2,3)31-23(30)27(4)20(16-18-13-9-6-10-14-18)22(29)26-19(21(25)28)15-17-11-7-5-8-12-17/h5-14,19-20H,15-16H2,1-4H3,(H2,25,28)(H,26,29)/t19-,20?/m1/s1
InChIKeyPMOSFSDURALSCQ-FIWHBWSRSA-N
XLogP2.68
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 54358970
tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 10494880
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
CID 7015126
(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]propanoic acid
CID 167069743
benzyl (2R)-2-[[(2S)-2-[deuteriomethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 141449734
[5-[2-[[3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-oxo-3-phenylmethoxypropyl]-2-methoxyphenyl]boronic acid
CID 78159495
(2S)-2-[[(2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]-3-phenylpropanoyl]amino]butanedioic acid
CID 175881615
5-[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-oxo-3-phenylmethoxypropyl]-2-methoxybenzenesulfinic acid
CID 135210455
tert-butyl N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 141164867
tert-butyl N-methyl-N-[(2S)-1-oxo-3-phenyl-1-(2-propylsulfanylethylamino)propan-2-yl]carbamate
CID 54376676
methyl 2-methyl-3-[[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]-4-phenylbutanoate
CID 123504507

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate (CID 10598474) is tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate?
The InChIKey is PMOSFSDURALSCQ-FIWHBWSRSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-24(2,3)31-23(30)27(4)20(16-18-13-9-6-10-14-18)22(29)26-19(21(25)28)15-17-11-7-5-8-12-17/h5-14,19-20H,15-16H2,1-4H3,(H2,25,28)(H,26,29)/t19-,20?/m1/s1.
What are the key properties of tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate has a molecular weight of 425.53 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 10598474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).