methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate

C18H24N2O3 — CID 119775677

IUPACmethyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C18H24N2O3/c1-23-15(21)9-4-11-2-7-14(8-3-11)20-18(22)16-12-5-6-13(10-12)17(16)19/h2-3,7-8,12-13,16-17H,4-6,9-10,19H2,1H3,(H,20,22)
InChIKeyYNFDPOVFOUHCCX-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.10
Rot. Bonds5

About methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate

methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate (PubChem CID 119775677) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate
PubChem CID119775677
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C18H24N2O3/c1-23-15(21)9-4-11-2-7-14(8-3-11)20-18(22)16-12-5-6-13(10-12)17(16)19/h2-3,7-8,12-13,16-17H,4-6,9-10,19H2,1H3,(H,20,22)
InChIKeyYNFDPOVFOUHCCX-UHFFFAOYSA-N
XLogP2.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate with MolForge

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Related Compounds

methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
CID 119775675
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119719010
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
ethyl 3-[4-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]propanoate
CID 120990507
3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714116
3-[4-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]phenyl]propanoic acid
CID 98870422
methyl 2-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119775532
3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119697295
3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119832040
3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119672844
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
ethyl 2-[[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]benzoyl]amino]propanoate
CID 119806763

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate (CID 119775677) is methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate is COC(=O)CCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1.
What is the InChIKey of methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate?
The InChIKey is YNFDPOVFOUHCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-15(21)9-4-11-2-7-14(8-3-11)20-18(22)16-12-5-6-13(10-12)17(16)19/h2-3,7-8,12-13,16-17H,4-6,9-10,19H2,1H3,(H,20,22).
What are the key properties of methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate?
methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate has a molecular weight of 316.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate is sourced from PubChem (CID 119775677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).