methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate

C17H24N2O4 — CID 120994216

IUPACmethyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)C2CC3CCCC(C2)C3N)o1
InChIInChI=1S/C17H24N2O4/c1-22-17(21)14-6-5-13(23-14)9-19-16(20)12-7-10-3-2-4-11(8-12)15(10)18/h5-6,10-12,15H,2-4,7-9,18H2,1H3,(H,19,20)
InChIKeyUQWYCWVNWUPQIA-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.84
Rot. Bonds4

About methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate

methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 120994216) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID120994216
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)C2CC3CCCC(C2)C3N)o1
InChIInChI=1S/C17H24N2O4/c1-22-17(21)14-6-5-13(23-14)9-19-16(20)12-7-10-3-2-4-11(8-12)15(10)18/h5-6,10-12,15H,2-4,7-9,18H2,1H3,(H,19,20)
InChIKeyUQWYCWVNWUPQIA-UHFFFAOYSA-N
XLogP1.84
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]-2-methoxybenzoate;hydrochloride
CID 120985040
methyl 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 120984703
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984718
N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120989794
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985722
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide
CID 119818574
9-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984689

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate (CID 120994216) is methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC(=O)C2CC3CCCC(C2)C3N)o1.
What is the InChIKey of methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is UQWYCWVNWUPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-17(21)14-6-5-13(23-14)9-19-16(20)12-7-10-3-2-4-11(8-12)15(10)18/h5-6,10-12,15H,2-4,7-9,18H2,1H3,(H,19,20).
What are the key properties of methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 120994216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).