methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride

C14H19ClN2O3 — CID 119671361

IUPACmethyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)C2CCCC2N)cc1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-19-14(18)9-5-7-10(8-6-9)16-13(17)11-3-2-4-12(11)15;/h5-8,11-12H,2-4,15H2,1H3,(H,16,17);1H
InChIKeySQJMWCACMCUDJY-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.96
Rot. Bonds3

About methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride

methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride (PubChem CID 119671361) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
PubChem CID119671361
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Namemethyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)C2CCCC2N)cc1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-19-14(18)9-5-7-10(8-6-9)16-13(17)11-3-2-4-12(11)15;/h5-8,11-12H,2-4,15H2,1H3,(H,16,17);1H
InChIKeySQJMWCACMCUDJY-UHFFFAOYSA-N
XLogP1.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
2-amino-N-[4-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 64818115
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
2-amino-N-(4-cyclopentyloxyphenyl)cyclopentane-1-carboxamide
CID 64824128
methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671365
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride?
The IUPAC name of methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride (CID 119671361) is methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride is COC(=O)c1ccc(NC(=O)C2CCCC2N)cc1.Cl.
What is the InChIKey of methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride?
The InChIKey is SQJMWCACMCUDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c1-19-14(18)9-5-7-10(8-6-9)16-13(17)11-3-2-4-12(11)15;/h5-8,11-12H,2-4,15H2,1H3,(H,16,17);1H.
What are the key properties of methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride?
methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 119671361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).