methyl 2-(aminomethyl)benzoate

C9H11NO2 — CID 2760944

IUPACmethyl 2-(aminomethyl)benzoate
SMILESCOC(=O)c1ccccc1CN
InChIInChI=1S/C9H11NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,6,10H2,1H3
InChIKeyRBTRYPAYLTVGDV-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.93
Rot. Bonds2

About methyl 2-(aminomethyl)benzoate

methyl 2-(aminomethyl)benzoate (PubChem CID 2760944) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 2-(aminomethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)benzoate
PubChem CID2760944
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 2-(aminomethyl)benzoate
SMILESCOC(=O)c1ccccc1CN
InChIInChI=1S/C9H11NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,6,10H2,1H3
InChIKeyRBTRYPAYLTVGDV-UHFFFAOYSA-N
XLogP0.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-(aminomethyl)benzoate
CID 571728
Methyl o-toluate
CID 33094
Methyl 4-(aminomethyl)benzoate hydrochloride
CID 2729253
tert-Butyl 4-(aminomethyl)benzoate
CID 14514888
Ethyl 4-(aminomethyl)benzoate
CID 436161
Phthalamic acid, N,N-dimethyl-, methyl ester
CID 213517
2-(Aminomethyl)benzoic acid hydrochloride
CID 45263715
3-Amino-2-methylbenzoic acid methyl ester
CID 3801025
Methyl 3-(aminomethyl)benzoate
CID 2794826
Benzyl 4-(aminomethyl)benzoate
CID 11356901
Methyl-2-[(methylamino)carbonyl]benzoate
CID 20704953
2-Aminomethylbenzoic acid
CID 277942

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)benzoate?
The IUPAC name of methyl 2-(aminomethyl)benzoate (CID 2760944) is methyl 2-(aminomethyl)benzoate.
What is the SMILES notation for methyl 2-(aminomethyl)benzoate?
The canonical SMILES for methyl 2-(aminomethyl)benzoate is COC(=O)c1ccccc1CN.
What is the InChIKey of methyl 2-(aminomethyl)benzoate?
The InChIKey is RBTRYPAYLTVGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,6,10H2,1H3.
What are the key properties of methyl 2-(aminomethyl)benzoate?
methyl 2-(aminomethyl)benzoate has a molecular weight of 165.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)benzoate is sourced from PubChem (CID 2760944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).