methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride

C23H29ClN2O3 — CID 119786318

IUPACmethyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride
SMILESCOC(=O)C(CNC(=O)C1C2CCC(C2)C1N)Cc1ccc2ccccc2c1.Cl
InChIInChI=1S/C23H28N2O3.ClH/c1-28-23(27)19(11-14-6-7-15-4-2-3-5-16(15)10-14)13-25-22(26)20-17-8-9-18(12-17)21(20)24;/h2-7,10,17-21H,8-9,11-13,24H2,1H3,(H,25,26);1H
InChIKeyXROBDQDLABPJES-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.08
Rot. Bonds6

About methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride

methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride (PubChem CID 119786318) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride
PubChem CID119786318
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Namemethyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride
SMILESCOC(=O)C(CNC(=O)C1C2CCC(C2)C1N)Cc1ccc2ccccc2c1.Cl
InChIInChI=1S/C23H28N2O3.ClH/c1-28-23(27)19(11-14-6-7-15-4-2-3-5-16(15)10-14)13-25-22(26)20-17-8-9-18(12-17)21(20)24;/h2-7,10,17-21H,8-9,11-13,24H2,1H3,(H,25,26);1H
InChIKeyXROBDQDLABPJES-UHFFFAOYSA-N
XLogP3.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride with MolForge

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Related Compounds

methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119325143
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
3-amino-N-(2-naphthalen-2-yloxyethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119694948
methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325168
3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119849953
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807219
2-(naphthalen-2-ylmethyl)-3-(thiane-4-carbonylamino)propanoic acid
CID 120527148
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110
3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819932
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119689643

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride?
The IUPAC name of methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride (CID 119786318) is methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride is COC(=O)C(CNC(=O)C1C2CCC(C2)C1N)Cc1ccc2ccccc2c1.Cl.
What is the InChIKey of methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride?
The InChIKey is XROBDQDLABPJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3.ClH/c1-28-23(27)19(11-14-6-7-15-4-2-3-5-16(15)10-14)13-25-22(26)20-17-8-9-18(12-17)21(20)24;/h2-7,10,17-21H,8-9,11-13,24H2,1H3,(H,25,26);1H.
What are the key properties of methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride?
methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride is sourced from PubChem (CID 119786318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).