methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate

C14H16N2O3 — CID 56737895

IUPACmethyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C14H16N2O3/c1-9(14(18)19-3)15-13(17)12-8-10-6-4-5-7-11(10)16(12)2/h4-9H,1-3H3,(H,15,17)
InChIKeyWUARWYZFBGEGOS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate

methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate (PubChem CID 56737895) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
PubChem CID56737895
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C14H16N2O3/c1-9(14(18)19-3)15-13(17)12-8-10-6-4-5-7-11(10)16(12)2/h4-9H,1-3H3,(H,15,17)
InChIKeyWUARWYZFBGEGOS-UHFFFAOYSA-N
XLogP1.47
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124
3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoic acid
CID 118985938
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 146123058
N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide
CID 10782216
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
CID 58417663
N-[(2S)-1-[[(2S)-4-(2-carbamoylhydrazinyl)-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-1-methylindole-2-carboxamide
CID 86583995
N-methanehydrazonoyl-1-methylindole-2-carboxamide
CID 137240676
(2S)-2-[(1-methylindole-2-carbonyl)amino]hexanoic acid
CID 59453906
methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate
CID 86845751
methyl 1-methylindole-2-carboperoxoate
CID 140791750
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
CID 61209553

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate (CID 56737895) is methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1cc2ccccc2n1C.
What is the InChIKey of methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate?
The InChIKey is WUARWYZFBGEGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(14(18)19-3)15-13(17)12-8-10-6-4-5-7-11(10)16(12)2/h4-9H,1-3H3,(H,15,17).
What are the key properties of methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate?
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate has a molecular weight of 260.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 56737895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).