ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate

C14H15FN2O3 — CID 16677025

IUPACethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H15FN2O3/c1-3-20-14(19)8(2)16-13(18)12-6-9-4-5-10(15)7-11(9)17-12/h4-8,17H,3H2,1-2H3,(H,16,18)
InChIKeyLVPMVZYXMJMIDZ-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.99
Rot. Bonds4

About ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate

ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate (PubChem CID 16677025) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate
PubChem CID16677025
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Nameethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H15FN2O3/c1-3-20-14(19)8(2)16-13(18)12-6-9-4-5-10(15)7-11(9)17-12/h4-8,17H,3H2,1-2H3,(H,16,18)
InChIKeyLVPMVZYXMJMIDZ-UHFFFAOYSA-N
XLogP1.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate
CID 78969683
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 172548012
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]propanoate
CID 63186715
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 94652955
ethyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 94194015
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
N-[1-[5-(cyclopropylmethoxy)-2-pyridinyl]ethyl]-6-fluoro-1H-indole-2-carboxamide
CID 67289964
[6-(carboxyamino)-2-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-3-yl]carbamic acid
CID 135324977

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate (CID 16677025) is ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate?
The InChIKey is LVPMVZYXMJMIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-20-14(19)8(2)16-13(18)12-6-9-4-5-10(15)7-11(9)17-12/h4-8,17H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate?
ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate has a molecular weight of 278.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 16677025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).