methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate

C16H24N2O4 — CID 23470128

IUPACmethyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C1NC(=O)C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H24N2O4/c1-15(2)8-5-6-16(15,3)9(7-8)12(19)17-10-11(14(21)22-4)18-13(10)20/h8-11H,5-7H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyUPCZVXBQYYZYCH-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.61
Rot. Bonds3

About methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate

methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate (PubChem CID 23470128) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate
PubChem CID23470128
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C1NC(=O)C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H24N2O4/c1-15(2)8-5-6-16(15,3)9(7-8)12(19)17-10-11(14(21)22-4)18-13(10)20/h8-11H,5-7H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyUPCZVXBQYYZYCH-UHFFFAOYSA-N
XLogP0.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate with MolForge

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Related Compounds

1,7,7-trimethyl-N-[3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171722351
1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171577098
(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl chloride
CID 86307397
1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 53442813
1-[(1S,2R)-2-methylcyclopropyl]-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 124858894
(2R)-2-methoxy-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124865100
methyl prop-2-enoate;(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174921390
methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate
CID 130020032
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate
CID 140960699
methyl (1S,5R)-5,8,8-trimethyl-4-oxo-3-azabicyclo[3.2.1]octane-2-carboxylate
CID 100996791
methyl (1R,2R,5R)-5,8,8-trimethyl-4-oxo-3-azabicyclo[3.2.1]octane-2-carboxylate
CID 99961433

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate?
The IUPAC name of methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate (CID 23470128) is methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate?
The canonical SMILES for methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate is COC(=O)C1NC(=O)C1NC(=O)C1CC2CCC1(C)C2(C)C.
What is the InChIKey of methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate?
The InChIKey is UPCZVXBQYYZYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-15(2)8-5-6-16(15,3)9(7-8)12(19)17-10-11(14(21)22-4)18-13(10)20/h8-11H,5-7H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate?
methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate is sourced from PubChem (CID 23470128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).