methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate

C15H19ClN2O3 — CID 82764559

IUPACmethyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(NC(=O)C2(C)CCCC2N)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-15(7-3-4-12(15)17)14(20)18-9-5-6-11(16)10(8-9)13(19)21-2/h5-6,8,12H,3-4,7,17H2,1-2H3,(H,18,20)
InChIKeyJLDRIWWSTHEJKS-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.58
Rot. Bonds3

About methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate

methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate (PubChem CID 82764559) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
PubChem CID82764559
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(NC(=O)C2(C)CCCC2N)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-15(7-3-4-12(15)17)14(20)18-9-5-6-11(16)10(8-9)13(19)21-2/h5-6,8,12H,3-4,7,17H2,1-2H3,(H,18,20)
InChIKeyJLDRIWWSTHEJKS-UHFFFAOYSA-N
XLogP2.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate with MolForge

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Related Compounds

2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763741
2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764359
2-amino-1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide
CID 82766050
2-amino-1-methyl-N-(4-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 82759601
2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765908
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921
2-amino-N-(3-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82868221
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
CID 82768134
2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82768378
2-amino-1-methyl-N-[4-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 82763880
2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 82767561
2-amino-1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 82764078

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate?
The IUPAC name of methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate (CID 82764559) is methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate.
What is the SMILES notation for methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate?
The canonical SMILES for methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate is COC(=O)c1cc(NC(=O)C2(C)CCCC2N)ccc1Cl.
What is the InChIKey of methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate?
The InChIKey is JLDRIWWSTHEJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-15(7-3-4-12(15)17)14(20)18-9-5-6-11(16)10(8-9)13(19)21-2/h5-6,8,12H,3-4,7,17H2,1-2H3,(H,18,20).
What are the key properties of methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate?
methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate has a molecular weight of 310.78 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate is sourced from PubChem (CID 82764559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).