methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride

C16H23ClN2O3 — CID 119678118

IUPACmethyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride
SMILESCOC(=O)c1ccc(C)c(NC(=O)C2(CN)CCCC2)c1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-11-5-6-12(14(19)21-2)9-13(11)18-15(20)16(10-17)7-3-4-8-16;/h5-6,9H,3-4,7-8,10,17H2,1-2H3,(H,18,20);1H
InChIKeyFDNWUFSHRMIDDE-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.66
Rot. Bonds4

About methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride

methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride (PubChem CID 119678118) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride
PubChem CID119678118
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Namemethyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride
SMILESCOC(=O)c1ccc(C)c(NC(=O)C2(CN)CCCC2)c1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-11-5-6-12(14(19)21-2)9-13(11)18-15(20)16(10-17)7-3-4-8-16;/h5-6,9H,3-4,7-8,10,17H2,1-2H3,(H,18,20);1H
InChIKeyFDNWUFSHRMIDDE-UHFFFAOYSA-N
XLogP2.66
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride with MolForge

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Related Compounds

3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylbenzoic acid
CID 115447773
methyl 4-methyl-3-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentanecarbonyl]amino]benzoate
CID 17429779
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921
1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 115437310
1-(aminomethyl)-N-(2,3-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670553
1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
CID 115182511
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate
CID 115447650
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride?
The IUPAC name of methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride (CID 119678118) is methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride.
What is the SMILES notation for methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride?
The canonical SMILES for methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride is COC(=O)c1ccc(C)c(NC(=O)C2(CN)CCCC2)c1.Cl.
What is the InChIKey of methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride?
The InChIKey is FDNWUFSHRMIDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-11-5-6-12(14(19)21-2)9-13(11)18-15(20)16(10-17)7-3-4-8-16;/h5-6,9H,3-4,7-8,10,17H2,1-2H3,(H,18,20);1H.
What are the key properties of methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride?
methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride is sourced from PubChem (CID 119678118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).