tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate

C16H22N2O4 — CID 135251327

IUPACtert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
SMILESCOc1ccc([C@@H]2CC(=O)N[C@H]2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-14-12(9-13(19)17-14)10-5-7-11(21-4)8-6-10/h5-8,12,14H,9H2,1-4H3,(H,17,19)(H,18,20)/t12-,14-/m0/s1
InChIKeyXXBQZWNTHCWXFW-JSGCOSHPSA-N
MW306.36 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate

tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate (PubChem CID 135251327) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
PubChem CID135251327
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nametert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
SMILESCOc1ccc([C@@H]2CC(=O)N[C@H]2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-14-12(9-13(19)17-14)10-5-7-11(21-4)8-6-10/h5-8,12,14H,9H2,1-4H3,(H,17,19)(H,18,20)/t12-,14-/m0/s1
InChIKeyXXBQZWNTHCWXFW-JSGCOSHPSA-N
XLogP2.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-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

tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
CID 134361248
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 175099449
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
tert-butyl N-[(1R,2S,3S,4S)-3-hydroxy-2-(4-methoxyphenyl)-1-oxothian-4-yl]carbamate
CID 11142803
tert-butyl N-[(3S,4S,5S)-2-hydroxy-5-(4-methoxyphenyl)-4-methyloxolan-3-yl]carbamate
CID 10336313
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[(2S)-1-[[3-(4-methoxyphenyl)cyclohexyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 15765445
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate
CID 153340105
tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate
CID 136571569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate (CID 135251327) is tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate is COc1ccc([C@@H]2CC(=O)N[C@H]2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate?
The InChIKey is XXBQZWNTHCWXFW-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-14-12(9-13(19)17-14)10-5-7-11(21-4)8-6-10/h5-8,12,14H,9H2,1-4H3,(H,17,19)(H,18,20)/t12-,14-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate?
tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate has a molecular weight of 306.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate is sourced from PubChem (CID 135251327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).