tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate

C20H29N3O3 — CID 11024794

IUPACtert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C20H29N3O3/c1-20(2,3)26-19(25)21-17-10-12-23(18(17)24)16-9-11-22(14-16)13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyVWPIOXFPEKWSOH-SJORKVTESA-N
MW359.47 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 11024794) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID11024794
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nametert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C20H29N3O3/c1-20(2,3)26-19(25)21-17-10-12-23(18(17)24)16-9-11-22(14-16)13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyVWPIOXFPEKWSOH-SJORKVTESA-N
XLogP2.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-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

tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
tert-butyl N-[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]carbamate
CID 90708252
tert-butyl N-[(3R,4R)-1-benzyl-4-(2-fluoroethyl)piperidin-3-yl]carbamate
CID 20599298
tert-butyl N-[(1S)-1-(1-benzylpyrrolidin-3-yl)propyl]carbamate
CID 10358533
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3S,4S)-1-benzyl-4-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 86587101
tert-butyl N-[(3S,4R)-1-benzyl-3-cyanopiperidin-4-yl]carbamate
CID 155294397
tert-butyl N-[(2S)-1-benzylpyrrolidin-2-yl]carbamate
CID 10754954
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
tert-butyl N-[(3R)-1-[(4-benzoylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 141133499

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate (CID 11024794) is tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is VWPIOXFPEKWSOH-SJORKVTESA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,3)26-19(25)21-17-10-12-23(18(17)24)16-9-11-22(14-16)13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,21,25)/t16-,17+/m1/s1.
What are the key properties of tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 359.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[(3R)-1-benzylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 11024794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).