methyl 3-(1H-indole-5-carbonylamino)propanoate

C13H14N2O3 — CID 63718794

IUPACmethyl 3-(1H-indole-5-carbonylamino)propanoate
SMILESCOC(=O)CCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H14N2O3/c1-18-12(16)5-7-15-13(17)10-2-3-11-9(8-10)4-6-14-11/h2-4,6,8,14H,5,7H2,1H3,(H,15,17)
InChIKeyQAHFPHHNZLZFEN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.46
Rot. Bonds4

About methyl 3-(1H-indole-5-carbonylamino)propanoate

methyl 3-(1H-indole-5-carbonylamino)propanoate (PubChem CID 63718794) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 3-(1H-indole-5-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indole-5-carbonylamino)propanoate
PubChem CID63718794
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 3-(1H-indole-5-carbonylamino)propanoate
SMILESCOC(=O)CCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H14N2O3/c1-18-12(16)5-7-15-13(17)10-2-3-11-9(8-10)4-6-14-11/h2-4,6,8,14H,5,7H2,1H3,(H,15,17)
InChIKeyQAHFPHHNZLZFEN-UHFFFAOYSA-N
XLogP1.46
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
methyl 2-(1H-indol-5-yl)acetate
CID 43831379

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indole-5-carbonylamino)propanoate?
The IUPAC name of methyl 3-(1H-indole-5-carbonylamino)propanoate (CID 63718794) is methyl 3-(1H-indole-5-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-(1H-indole-5-carbonylamino)propanoate?
The canonical SMILES for methyl 3-(1H-indole-5-carbonylamino)propanoate is COC(=O)CCNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of methyl 3-(1H-indole-5-carbonylamino)propanoate?
The InChIKey is QAHFPHHNZLZFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-12(16)5-7-15-13(17)10-2-3-11-9(8-10)4-6-14-11/h2-4,6,8,14H,5,7H2,1H3,(H,15,17).
What are the key properties of methyl 3-(1H-indole-5-carbonylamino)propanoate?
methyl 3-(1H-indole-5-carbonylamino)propanoate has a molecular weight of 246.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indole-5-carbonylamino)propanoate is sourced from PubChem (CID 63718794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).