methyl 2-(cyclopentylamino)-5-methylbenzoate

C14H19NO2 — CID 43679174

IUPACmethyl 2-(cyclopentylamino)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC1CCCC1
InChIInChI=1S/C14H19NO2/c1-10-7-8-13(12(9-10)14(16)17-2)15-11-5-3-4-6-11/h7-9,11,15H,3-6H2,1-2H3
InChIKeyMJJPMRFWZHMXET-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.14
Rot. Bonds3

About methyl 2-(cyclopentylamino)-5-methylbenzoate

methyl 2-(cyclopentylamino)-5-methylbenzoate (PubChem CID 43679174) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-5-methylbenzoate
PubChem CID43679174
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-(cyclopentylamino)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC1CCCC1
InChIInChI=1S/C14H19NO2/c1-10-7-8-13(12(9-10)14(16)17-2)15-11-5-3-4-6-11/h7-9,11,15H,3-6H2,1-2H3
InChIKeyMJJPMRFWZHMXET-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(cyclopentylamino)-5-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(3-aminocyclobutyl)amino]-5-methylbenzoate
CID 80559743
1-(cyclohexylamino)-2-methoxycarbonyl-4-(sulfinoamino)benzene
CID 54246963
methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide
CID 71049986
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
methyl 5-bromo-3-(cyclopentylamino)-2-methylbenzoate
CID 70872494
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate
CID 43679244

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-5-methylbenzoate?
The IUPAC name of methyl 2-(cyclopentylamino)-5-methylbenzoate (CID 43679174) is methyl 2-(cyclopentylamino)-5-methylbenzoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-5-methylbenzoate?
The canonical SMILES for methyl 2-(cyclopentylamino)-5-methylbenzoate is COC(=O)c1cc(C)ccc1NC1CCCC1.
What is the InChIKey of methyl 2-(cyclopentylamino)-5-methylbenzoate?
The InChIKey is MJJPMRFWZHMXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-7-8-13(12(9-10)14(16)17-2)15-11-5-3-4-6-11/h7-9,11,15H,3-6H2,1-2H3.
What are the key properties of methyl 2-(cyclopentylamino)-5-methylbenzoate?
methyl 2-(cyclopentylamino)-5-methylbenzoate has a molecular weight of 233.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-5-methylbenzoate is sourced from PubChem (CID 43679174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).