tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate

C15H25NO3 — CID 102214052

IUPACtert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)CC1=C[C@@H]2C[C@H](C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-14(2,3)19-13(17)16(18)9-10-6-11-8-12(7-10)15(11,4)5/h6,11-12,18H,7-9H2,1-5H3/t11-,12+/m1/s1
InChIKeySRVTYFWQPXNNSW-NEPJUHHUSA-N
MW267.37 g/mol
LogP3.61
Rot. Bonds2

About tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate

tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate (PubChem CID 102214052) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate
PubChem CID102214052
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)CC1=C[C@@H]2C[C@H](C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-14(2,3)19-13(17)16(18)9-10-6-11-8-12(7-10)15(11,4)5/h6,11-12,18H,7-9H2,1-5H3/t11-,12+/m1/s1
InChIKeySRVTYFWQPXNNSW-NEPJUHHUSA-N
XLogP3.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate with MolForge

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Related Compounds

[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol
CID 101115831
2-[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]ethyl benzoate
CID 132838766
tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate
CID 85373698
tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
CID 86028321
2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 91184991
tert-butyl N-cyclopropyl-N-[(2,3-dichlorocyclohexa-1,3-dien-1-yl)methyl]carbamate
CID 173128316
tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate
CID 42642819
tert-butyl N-[[3-amino-5-(methoxymethyl)phenyl]methyl]-N-cyclopropylcarbamate
CID 69079007
5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide
CID 173253748
ditert-butyl bicyclo[2.2.1]hepta-2,5-diene-2,5-dicarboxylate
CID 100946823
tert-butyl N-tert-butyl-N-[4-[(1S)-2,2-dimethylcyclopropyl]phenyl]sulfonylcarbamate
CID 175715301
2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid
CID 135344240

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate (CID 102214052) is tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate is CC(C)(C)OC(=O)N(O)CC1=C[C@@H]2C[C@H](C1)C2(C)C.
What is the InChIKey of tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate?
The InChIKey is SRVTYFWQPXNNSW-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(2,3)19-13(17)16(18)9-10-6-11-8-12(7-10)15(11,4)5/h6,11-12,18H,7-9H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate?
tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate has a molecular weight of 267.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate is sourced from PubChem (CID 102214052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).