methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride

C14H19ClN2O3 — CID 119671365

IUPACmethyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-19-14(18)9-3-6-12(7-4-9)16-13(17)10-2-5-11(15)8-10;/h3-4,6-7,10-11H,2,5,8,15H2,1H3,(H,16,17);1H
InChIKeyQTANBTWQXUXQSX-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.96
Rot. Bonds3

About methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride

methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride (PubChem CID 119671365) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
PubChem CID119671365
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Namemethyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-19-14(18)9-3-6-12(7-4-9)16-13(17)10-2-5-11(15)8-10;/h3-4,6-7,10-11H,2,5,8,15H2,1H3,(H,16,17);1H
InChIKeyQTANBTWQXUXQSX-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

dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate
CID 119673682
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
CID 119775675
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride?
The IUPAC name of methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride (CID 119671365) is methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride is COC(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1.Cl.
What is the InChIKey of methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride?
The InChIKey is QTANBTWQXUXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c1-19-14(18)9-3-6-12(7-4-9)16-13(17)10-2-5-11(15)8-10;/h3-4,6-7,10-11H,2,5,8,15H2,1H3,(H,16,17);1H.
What are the key properties of methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride?
methyl 4-[(3-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-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 119671365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).