tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate

C16H23N3O3 — CID 168659109

IUPACtert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CC(CN)CC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-12-4-6-13(7-5-12)19-10-11(9-17)8-14(19)20/h4-7,11H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyQVDAGCPSCVIBTL-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate

tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate (PubChem CID 168659109) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
PubChem CID168659109
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CC(CN)CC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-12-4-6-13(7-5-12)19-10-11(9-17)8-14(19)20/h4-7,11H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyQVDAGCPSCVIBTL-UHFFFAOYSA-N
XLogP2.35
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]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-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168506913
tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 168713501
methyl N-[3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168659446
tert-butyl N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168506919
tert-butyl N-[3-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]phenyl]carbamate
CID 168669594
tert-butyl N-[4-[1-(4-aminophenyl)-5-oxopyrrolidin-3-yl]butyl]carbamate
CID 162384003
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507034
N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methoxyphenyl]acetamide
CID 168659212
4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
CID 112514915
methyl 4-[[1-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 19879283
tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate
CID 170749117
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate (CID 168659109) is tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N2CC(CN)CC2=O)cc1.
What is the InChIKey of tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate?
The InChIKey is QVDAGCPSCVIBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)18-12-4-6-13(7-5-12)19-10-11(9-17)8-14(19)20/h4-7,11H,8-10,17H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate?
tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate is sourced from PubChem (CID 168659109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).