tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate

C26H37N3O6 — CID 70330663

IUPACtert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate
SMILESCC1C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N1C(C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1
InChIInChI=1S/C26H37N3O6/c1-17-13-21(28(5)25(33)35-26(2,3)4)24(32)29(17)20(14-19-11-12-27-23(19)31)22(30)16-34-15-18-9-7-6-8-10-18/h6-10,17,19-21H,11-16H2,1-5H3,(H,27,31)/t17?,19-,20?,21-/m0/s1
InChIKeyUXKVYDXSIZUHDN-YXIVMFJDSA-N
MW487.60 g/mol
LogP2.52
Rot. Bonds9

About tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate (PubChem CID 70330663) has the molecular formula C26H37N3O6 and a molecular weight of 487.60 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate
PubChem CID70330663
Molecular FormulaC26H37N3O6
Molecular Weight487.60 g/mol
Exact Mass487.27
IUPAC Nametert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate
SMILESCC1C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N1C(C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1
InChIInChI=1S/C26H37N3O6/c1-17-13-21(28(5)25(33)35-26(2,3)4)24(32)29(17)20(14-19-11-12-27-23(19)31)22(30)16-34-15-18-9-7-6-8-10-18/h6-10,17,19-21H,11-16H2,1-5H3,(H,27,31)/t17?,19-,20?,21-/m0/s1
InChIKeyUXKVYDXSIZUHDN-YXIVMFJDSA-N
XLogP2.52
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate 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

(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one
CID 118420758
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] benzoate
CID 162695583
tert-butyl (2S)-3-methyl-2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopyrrolidin-1-yl]butanoate
CID 151769668
benzyl N-[3,3,4-trimethyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
CID 156883934
2-methyl-3-(2-oxopyrrolidin-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 175458061
2-[1-(benzylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]benzoic acid
CID 175424458
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
methyl (2S)-2-[[tert-butyl(phenylmethoxycarbonylamino)carbamoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175379759
tert-butyl N-[(2S)-4-(1,4-dioxo-3H-phthalazin-2-yl)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamate
CID 11396292
tert-butyl N-[(2E)-1-benzyl-4-oxo-2-(phenylmethoxycarbonylcarbamoylimino)-1,3-diazinan-5-yl]-N-methylcarbamate
CID 177483342
methyl (2S)-3-(2-oxopyrrolidin-3-yl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 90368623
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate (CID 70330663) is tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate is CC1C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N1C(C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1.
What is the InChIKey of tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is UXKVYDXSIZUHDN-YXIVMFJDSA-N. The full InChI is InChI=1S/C26H37N3O6/c1-17-13-21(28(5)25(33)35-26(2,3)4)24(32)29(17)20(14-19-11-12-27-23(19)31)22(30)16-34-15-18-9-7-6-8-10-18/h6-10,17,19-21H,11-16H2,1-5H3,(H,27,31)/t17?,19-,20?,21-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 487.60 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3S)-5-methyl-2-oxo-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 70330663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).