1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C15H17FN2O3 — CID 103500013

IUPAC1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H17FN2O3/c16-11-3-2-10-4-7-18(12(10)8-11)14(21)17-9-15(13(19)20)5-1-6-15/h2-3,8H,1,4-7,9H2,(H,17,21)(H,19,20)
InChIKeyXTBDNJGVVBWLLY-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.15
Rot. Bonds3

About 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 103500013) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID103500013
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H17FN2O3/c16-11-3-2-10-4-7-18(12(10)8-11)14(21)17-9-15(13(19)20)5-1-6-15/h2-3,8H,1,4-7,9H2,(H,17,21)(H,19,20)
InChIKeyXTBDNJGVVBWLLY-UHFFFAOYSA-N
XLogP2.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
(2R)-2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]butanedioic acid
CID 103499983
1-[[(2-bromo-4-fluorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362165
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852
8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 10214790
4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 103500124
1-[[(2-bromo-5-fluorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 107628973
2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 104872444
3-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]-2-methylbutanoic acid
CID 103499843
[1-(aminomethyl)-4-methylcyclohexyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495287
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 103500013) is 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)N1CCc2ccc(F)cc21.
What is the InChIKey of 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is XTBDNJGVVBWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-11-3-2-10-4-7-18(12(10)8-11)14(21)17-9-15(13(19)20)5-1-6-15/h2-3,8H,1,4-7,9H2,(H,17,21)(H,19,20).
What are the key properties of 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 292.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103500013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).