tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate

C16H20N2O4 — CID 134961016

IUPACtert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](c1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)17-14(11-7-5-4-6-8-11)18-12(19)9-10-13(18)20/h4-8,14H,9-10H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyUGBDJCIPVAWGHK-CQSZACIVSA-N
MW304.35 g/mol
LogP2.36
Rot. Bonds3

About tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate

tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate (PubChem CID 134961016) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate
PubChem CID134961016
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nametert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](c1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)17-14(11-7-5-4-6-8-11)18-12(19)9-10-13(18)20/h4-8,14H,9-10H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyUGBDJCIPVAWGHK-CQSZACIVSA-N
XLogP2.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
(2,5-dioxopyrrolidin-1-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoate
CID 23002661
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
2-(2,5-dioxopyrrolidin-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 169324201
tert-butyl N-[(1S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314722
tert-butyl N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10065360
tert-butyl N-[(1R)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314721
tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
CID 20795477
tert-butyl N-[phenyl(phenylsulfanyl)methyl]carbamate
CID 23303676

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate (CID 134961016) is tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](c1ccccc1)N1C(=O)CCC1=O.
What is the InChIKey of tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate?
The InChIKey is UGBDJCIPVAWGHK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)17-14(11-7-5-4-6-8-11)18-12(19)9-10-13(18)20/h4-8,14H,9-10H2,1-3H3,(H,17,21)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate?
tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate is sourced from PubChem (CID 134961016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).