methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate

C17H19FN2O3 — CID 119041888

IUPACmethyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)(NC(=O)Cc1c[nH]c2cc(F)ccc12)C1CC1
InChIInChI=1S/C17H19FN2O3/c1-17(11-3-4-11,16(22)23-2)20-15(21)7-10-9-19-14-8-12(18)5-6-13(10)14/h5-6,8-9,11,19H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyMDKIHJYFUAYEAT-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.31
Rot. Bonds5

About methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate

methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate (PubChem CID 119041888) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
PubChem CID119041888
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Namemethyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)(NC(=O)Cc1c[nH]c2cc(F)ccc12)C1CC1
InChIInChI=1S/C17H19FN2O3/c1-17(11-3-4-11,16(22)23-2)20-15(21)7-10-9-19-14-8-12(18)5-6-13(10)14/h5-6,8-9,11,19H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyMDKIHJYFUAYEAT-UHFFFAOYSA-N
XLogP2.31
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 172548012
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436084
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
CID 138003196
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209477

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate (CID 119041888) is methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate is COC(=O)C(C)(NC(=O)Cc1c[nH]c2cc(F)ccc12)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate?
The InChIKey is MDKIHJYFUAYEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-17(11-3-4-11,16(22)23-2)20-15(21)7-10-9-19-14-8-12(18)5-6-13(10)14/h5-6,8-9,11,19H,3-4,7H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate?
methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate has a molecular weight of 318.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 119041888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).