methyl 3-(aminomethyl)indole-1-carboxylate

C11H12N2O2 — CID 155065457

IUPACmethyl 3-(aminomethyl)indole-1-carboxylate
SMILESCOC(=O)n1cc(CN)c2ccccc21
InChIInChI=1S/C11H12N2O2/c1-15-11(14)13-7-8(6-12)9-4-2-3-5-10(9)13/h2-5,7H,6,12H2,1H3
InChIKeyYSUZYNZKGDKSJF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.71
Rot. Bonds1

About methyl 3-(aminomethyl)indole-1-carboxylate

methyl 3-(aminomethyl)indole-1-carboxylate (PubChem CID 155065457) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 3-(aminomethyl)indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)indole-1-carboxylate
PubChem CID155065457
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 3-(aminomethyl)indole-1-carboxylate
SMILESCOC(=O)n1cc(CN)c2ccccc21
InChIInChI=1S/C11H12N2O2/c1-15-11(14)13-7-8(6-12)9-4-2-3-5-10(9)13/h2-5,7H,6,12H2,1H3
InChIKeyYSUZYNZKGDKSJF-UHFFFAOYSA-N
XLogP1.71
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
methyl 3-(cyanomethyl)indole-1-carboxylate
CID 611773
[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
CID 12504715
methyl 3-bromoindole-1-carboxylate
CID 82381716
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)indole-1-carboxylate
CID 11267120
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
(2-aminoacetyl) 3-[(2R)-2-aminopropyl]indole-1-carboxylate
CID 173274623
amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate
CID 57120614
dimethyl 2-methoxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]propanedioate
CID 10572537
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate
CID 90182347

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)indole-1-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)indole-1-carboxylate (CID 155065457) is methyl 3-(aminomethyl)indole-1-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)indole-1-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)indole-1-carboxylate is COC(=O)n1cc(CN)c2ccccc21.
What is the InChIKey of methyl 3-(aminomethyl)indole-1-carboxylate?
The InChIKey is YSUZYNZKGDKSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-11(14)13-7-8(6-12)9-4-2-3-5-10(9)13/h2-5,7H,6,12H2,1H3.
What are the key properties of methyl 3-(aminomethyl)indole-1-carboxylate?
methyl 3-(aminomethyl)indole-1-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)indole-1-carboxylate is sourced from PubChem (CID 155065457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).