methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate

C15H21NO2 — CID 117371134

IUPACmethyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate
SMILESCOC(=O)c1cc(C2(N)CCCC2)cc(C)c1C
InChIInChI=1S/C15H21NO2/c1-10-8-12(15(16)6-4-5-7-15)9-13(11(10)2)14(17)18-3/h8-9H,4-7,16H2,1-3H3
InChIKeyYVHYRRRTMLLPPI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds2

About methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate

methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate (PubChem CID 117371134) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate
PubChem CID117371134
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate
SMILESCOC(=O)c1cc(C2(N)CCCC2)cc(C)c1C
InChIInChI=1S/C15H21NO2/c1-10-8-12(15(16)6-4-5-7-15)9-13(11(10)2)14(17)18-3/h8-9H,4-7,16H2,1-3H3
InChIKeyYVHYRRRTMLLPPI-UHFFFAOYSA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
methyl 3-(1-aminocyclopropyl)-4,5-dimethylbenzoate
CID 117312519
5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
CID 117416999
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate
CID 117417003
5-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296190
methyl 5-(2-aminoacetyl)-2,3-dimethylbenzoate
CID 117315602
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 12725569
5-(1-carboxycyclohexyl)-2,3-dimethylbenzoic acid
CID 117442429

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate?
The IUPAC name of methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate (CID 117371134) is methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate.
What is the SMILES notation for methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate?
The canonical SMILES for methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate is COC(=O)c1cc(C2(N)CCCC2)cc(C)c1C.
What is the InChIKey of methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate?
The InChIKey is YVHYRRRTMLLPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-8-12(15(16)6-4-5-7-15)9-13(11(10)2)14(17)18-3/h8-9H,4-7,16H2,1-3H3.
What are the key properties of methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate?
methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate has a molecular weight of 247.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate is sourced from PubChem (CID 117371134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).