tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate

C17H24N2O5 — CID 171885078

IUPACtert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)C(O)c1cccc2c1CNC2=O
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(23)18-8-7-13(20)14(21)10-5-4-6-11-12(10)9-19-15(11)22/h4-6,13-14,20-21H,7-9H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyVGMYFWRHPKJIGU-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.24
Rot. Bonds5

About tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate

tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate (PubChem CID 171885078) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
PubChem CID171885078
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Nametert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)C(O)c1cccc2c1CNC2=O
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(23)18-8-7-13(20)14(21)10-5-4-6-11-12(10)9-19-15(11)22/h4-6,13-14,20-21H,7-9H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyVGMYFWRHPKJIGU-UHFFFAOYSA-N
XLogP1.24
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
CID 171886870
tert-butyl N-[4-(2,3-diaminophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884504
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate
CID 170834410
tert-butyl N-[4-(1-benzothiophen-7-yl)-3,4-dihydroxybutyl]carbamate
CID 171884984
tert-butyl N-[4-(2-fluoro-3-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884753
tert-butyl N-[4-(3-acetylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884764
tert-butyl N-[3,4-dihydroxy-4-(5-methyl-2-oxo-1H-pyridin-3-yl)butyl]carbamate
CID 171884635
tert-butyl N-[4-(4-chloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884316
tert-butyl N-[4-(2-chlorothiophen-3-yl)-3,4-dihydroxybutyl]carbamate
CID 171884237
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butyl]carbamate
CID 171884463
tert-butyl N-[3,4-dihydroxy-4-(4-oxo-1H-pyridin-2-yl)butyl]carbamate
CID 171884346
4-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-methoxybenzoic acid
CID 171885445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate (CID 171885078) is tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate is CC(C)(C)OC(=O)NCCC(O)C(O)c1cccc2c1CNC2=O.
What is the InChIKey of tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate?
The InChIKey is VGMYFWRHPKJIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-17(2,3)24-16(23)18-8-7-13(20)14(21)10-5-4-6-11-12(10)9-19-15(11)22/h4-6,13-14,20-21H,7-9H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate?
tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate is sourced from PubChem (CID 171885078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).