methyl 2-(cyclopentylmethylamino)benzoate

C14H19NO2 — CID 55030315

IUPACmethyl 2-(cyclopentylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCC1CCCC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)12-8-4-5-9-13(12)15-10-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3
InChIKeyQINOPFNUPPDMFH-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.08
Rot. Bonds4

About methyl 2-(cyclopentylmethylamino)benzoate

methyl 2-(cyclopentylmethylamino)benzoate (PubChem CID 55030315) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-(cyclopentylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylmethylamino)benzoate
PubChem CID55030315
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-(cyclopentylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCC1CCCC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)12-8-4-5-9-13(12)15-10-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3
InChIKeyQINOPFNUPPDMFH-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805
methyl 2-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 169084059
methyl 2-[2-(oxan-3-yl)ethylamino]benzoate
CID 118058964
methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 78820382
2-(cyclohexylmethylamino)benzenecarbothioamide
CID 43371658
methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
CID 2617358
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
methyl 2-(cyclopropylamino)benzoate
CID 83697867
2-[2-(cyclopentylmethylamino)phenyl]-N-methylacetamide
CID 55030650
methyl 2-methyl-3-(oxolan-3-ylmethylamino)benzoate
CID 43714476
2-[2-(cyclopropylmethylamino)benzoyl]oxybutanedioic acid
CID 57107119
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylmethylamino)benzoate?
The IUPAC name of methyl 2-(cyclopentylmethylamino)benzoate (CID 55030315) is methyl 2-(cyclopentylmethylamino)benzoate.
What is the SMILES notation for methyl 2-(cyclopentylmethylamino)benzoate?
The canonical SMILES for methyl 2-(cyclopentylmethylamino)benzoate is COC(=O)c1ccccc1NCC1CCCC1.
What is the InChIKey of methyl 2-(cyclopentylmethylamino)benzoate?
The InChIKey is QINOPFNUPPDMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)12-8-4-5-9-13(12)15-10-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3.
What are the key properties of methyl 2-(cyclopentylmethylamino)benzoate?
methyl 2-(cyclopentylmethylamino)benzoate has a molecular weight of 233.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylmethylamino)benzoate is sourced from PubChem (CID 55030315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).