methyl 2-(1H-indole-3-carbonylamino)acetate

C12H12N2O3 — CID 43406378

IUPACmethyl 2-(1H-indole-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H12N2O3/c1-17-11(15)7-14-12(16)9-6-13-10-5-3-2-4-8(9)10/h2-6,13H,7H2,1H3,(H,14,16)
InChIKeyXVENIZYFCIEATB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.07
Rot. Bonds3

About methyl 2-(1H-indole-3-carbonylamino)acetate

methyl 2-(1H-indole-3-carbonylamino)acetate (PubChem CID 43406378) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 2-(1H-indole-3-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-indole-3-carbonylamino)acetate
PubChem CID43406378
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namemethyl 2-(1H-indole-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H12N2O3/c1-17-11(15)7-14-12(16)9-6-13-10-5-3-2-4-8(9)10/h2-6,13H,7H2,1H3,(H,14,16)
InChIKeyXVENIZYFCIEATB-UHFFFAOYSA-N
XLogP1.07
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571
N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide
CID 115665104
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
tert-butyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 10040581
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
N-[(1-ethylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103766558

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indole-3-carbonylamino)acetate?
The IUPAC name of methyl 2-(1H-indole-3-carbonylamino)acetate (CID 43406378) is methyl 2-(1H-indole-3-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(1H-indole-3-carbonylamino)acetate?
The canonical SMILES for methyl 2-(1H-indole-3-carbonylamino)acetate is COC(=O)CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of methyl 2-(1H-indole-3-carbonylamino)acetate?
The InChIKey is XVENIZYFCIEATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-11(15)7-14-12(16)9-6-13-10-5-3-2-4-8(9)10/h2-6,13H,7H2,1H3,(H,14,16).
What are the key properties of methyl 2-(1H-indole-3-carbonylamino)acetate?
methyl 2-(1H-indole-3-carbonylamino)acetate has a molecular weight of 232.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indole-3-carbonylamino)acetate is sourced from PubChem (CID 43406378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).