methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate

C15H21NO3 — CID 103083146

IUPACmethyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNC1CCC(OC)C1
InChIInChI=1S/C15H21NO3/c1-18-13-8-7-12(9-13)16-10-11-5-3-4-6-14(11)15(17)19-2/h3-6,12-13,16H,7-10H2,1-2H3
InChIKeyAKPGNOANDOHABX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.13
Rot. Bonds5

About methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate

methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate (PubChem CID 103083146) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
PubChem CID103083146
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNC1CCC(OC)C1
InChIInChI=1S/C15H21NO3/c1-18-13-8-7-12(9-13)16-10-11-5-3-4-6-14(11)15(17)19-2/h3-6,12-13,16H,7-10H2,1-2H3
InChIKeyAKPGNOANDOHABX-UHFFFAOYSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
methyl 2-[(oxolan-3-ylamino)methyl]benzoate
CID 80716904
methyl 2-[[(2,4-dimethylcyclohexyl)amino]methyl]benzoate
CID 63995434
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 103081772
N-[2-[[(3-methoxycyclobutyl)amino]methyl]phenyl]acetamide
CID 113429848
2-[[(3,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103253362
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
methyl 2-[[(2-methylsulfanylcyclohexyl)amino]methyl]benzoate
CID 103923201
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969
2-[[[3,5-bis[(2-carboxyphenyl)methylamino]cyclohexyl]amino]methyl]benzoic acid
CID 102081252
methyl 2-(cyclopropylamino)benzoate
CID 83697867

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate (CID 103083146) is methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate is COC(=O)c1ccccc1CNC1CCC(OC)C1.
What is the InChIKey of methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate?
The InChIKey is AKPGNOANDOHABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-13-8-7-12(9-13)16-10-11-5-3-4-6-14(11)15(17)19-2/h3-6,12-13,16H,7-10H2,1-2H3.
What are the key properties of methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate?
methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate is sourced from PubChem (CID 103083146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).