tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate

C20H30N2O4 — CID 90700035

IUPACtert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate
SMILESCC(C)C=C1C2CCC1c1c2c(O)n(CCNC(=O)OC(C)(C)C)c1O
InChIInChI=1S/C20H30N2O4/c1-11(2)10-14-12-6-7-13(14)16-15(12)17(23)22(18(16)24)9-8-21-19(25)26-20(3,4)5/h10-13,23-24H,6-9H2,1-5H3,(H,21,25)
InChIKeyWJBQLNQNWXFXIM-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.98
Rot. Bonds4

About tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate

tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate (PubChem CID 90700035) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate
PubChem CID90700035
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate
SMILESCC(C)C=C1C2CCC1c1c2c(O)n(CCNC(=O)OC(C)(C)C)c1O
InChIInChI=1S/C20H30N2O4/c1-11(2)10-14-12-6-7-13(14)16-15(12)17(23)22(18(16)24)9-8-21-19(25)26-20(3,4)5/h10-13,23-24H,6-9H2,1-5H3,(H,21,25)
InChIKeyWJBQLNQNWXFXIM-UHFFFAOYSA-N
XLogP3.98
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
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tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
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tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
CID 103781099
tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
CID 171538458
tert-butyl N-[2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]carbamate
CID 91120586
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179
tert-butyl N-[2-(2,6-dimethyl-4-sulfanylidene-1-pyridinyl)ethyl]carbamate
CID 13199803
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
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tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate (CID 90700035) is tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate is CC(C)C=C1C2CCC1c1c2c(O)n(CCNC(=O)OC(C)(C)C)c1O.
What is the InChIKey of tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate?
The InChIKey is WJBQLNQNWXFXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-11(2)10-14-12-6-7-13(14)16-15(12)17(23)22(18(16)24)9-8-21-19(25)26-20(3,4)5/h10-13,23-24H,6-9H2,1-5H3,(H,21,25).
What are the key properties of tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate?
tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3,5-dihydroxy-10-(2-methylpropylidene)-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]ethyl]carbamate is sourced from PubChem (CID 90700035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).