3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride

C10H10ClN2O2- — CID 22266685

IUPAC3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride
SMILESCl.NCc1c[nH]c2cccc(C(=O)[O-])c12
InChIInChI=1S/C10H10N2O2.ClH/c11-4-6-5-12-8-3-1-2-7(9(6)8)10(13)14;/h1-3,5,12H,4,11H2,(H,13,14);1H/p-1
InChIKeyBECOYFCZDNMMNB-UHFFFAOYSA-M
MW225.66 g/mol
LogP0.41
Rot. Bonds2

About 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride

3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride (PubChem CID 22266685) has the molecular formula C10H10ClN2O2- and a molecular weight of 225.66 g/mol. Its IUPAC name is 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride
PubChem CID22266685
Molecular FormulaC10H10ClN2O2-
Molecular Weight225.66 g/mol
Exact Mass225.04
IUPAC Name3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride
SMILESCl.NCc1c[nH]c2cccc(C(=O)[O-])c12
InChIInChI=1S/C10H10N2O2.ClH/c11-4-6-5-12-8-3-1-2-7(9(6)8)10(13)14;/h1-3,5,12H,4,11H2,(H,13,14);1H/p-1
InChIKeyBECOYFCZDNMMNB-UHFFFAOYSA-M
XLogP0.41
TPSA81.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.66
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1H-indole-4-carboxylate
CID 51777087
3-(ethylsulfonylmethyl)-1H-indole-4-carboxylic acid
CID 117171550
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
4-(2-phenylethyl)-1H-indole-3-carboxylic acid
CID 174560063
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
3-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117171560
3-amino-1H-indole-4-carboxylic acid
CID 83481883
[3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine
CID 117171053
ethyl 3-methyl-1H-indole-4-carboxylate
CID 90251191
sodium 1H-indole-3-carboxylate
CID 23698293
1H-indole-4-carboxylate
CID 6951562
methyl 3-(ethylsulfanylmethyl)-1H-indole-4-carboxylate
CID 57305059

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride?
The IUPAC name of 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride (CID 22266685) is 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride is Cl.NCc1c[nH]c2cccc(C(=O)[O-])c12.
What is the InChIKey of 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride?
The InChIKey is BECOYFCZDNMMNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N2O2.ClH/c11-4-6-5-12-8-3-1-2-7(9(6)8)10(13)14;/h1-3,5,12H,4,11H2,(H,13,14);1H/p-1.
What are the key properties of 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride?
3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride has a molecular weight of 225.66 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1H-indole-4-carboxylate;hydrochloride is sourced from PubChem (CID 22266685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).