methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate

C14H18N2O2 — CID 59979274

IUPACmethyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate
SMILESCC[C@@H](N)Cc1ccc2[nH]c(C(=O)OC)cc2c1
InChIInChI=1S/C14H18N2O2/c1-3-11(15)7-9-4-5-12-10(6-9)8-13(16-12)14(17)18-2/h4-6,8,11,16H,3,7,15H2,1-2H3/t11-/m1/s1
InChIKeyIQVBZLXEKYXCED-LLVKDONJSA-N
MW246.31 g/mol
LogP2.23
Rot. Bonds4

About methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate

methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate (PubChem CID 59979274) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate
PubChem CID59979274
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate
SMILESCC[C@@H](N)Cc1ccc2[nH]c(C(=O)OC)cc2c1
InChIInChI=1S/C14H18N2O2/c1-3-11(15)7-9-4-5-12-10(6-9)8-13(16-12)14(17)18-2/h4-6,8,11,16H,3,7,15H2,1-2H3/t11-/m1/s1
InChIKeyIQVBZLXEKYXCED-LLVKDONJSA-N
XLogP2.23
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
methyl 5-methylsulfanyl-1H-indole-2-carboxylate
CID 145163605
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562
(2-methoxycarbonyl-1H-indol-5-yl)boronic acid
CID 21014347
methyl 5-formamido-1H-indole-2-carboxylate
CID 91809592
ethyl 5-(2-cyanoethyl)-1H-indole-2-carboxylate
CID 70096807
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
methyl 5,6-dihydroxy-1H-indole-2-carboxylate
CID 22162548
methyl 5,6-dimethyl-1H-indole-2-carboxylate
CID 10867407
benzyl 5-(diethoxyphosphorylmethyl)-1H-indole-2-carboxylate
CID 155701289
N-hydroxy-5-propyl-1H-indole-2-carboxamide
CID 155672558
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate (CID 59979274) is methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate is CC[C@@H](N)Cc1ccc2[nH]c(C(=O)OC)cc2c1.
What is the InChIKey of methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate?
The InChIKey is IQVBZLXEKYXCED-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-11(15)7-9-4-5-12-10(6-9)8-13(16-12)14(17)18-2/h4-6,8,11,16H,3,7,15H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate?
methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 59979274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).