2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid

C14H17FN2O3 — CID 103499882

IUPAC2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H17FN2O3/c1-3-11(13(18)19)16(2)14(20)17-7-6-9-4-5-10(15)8-12(9)17/h4-5,8,11H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyRNGBZIYTLHEORG-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.10
Rot. Bonds3

About 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid

2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid (PubChem CID 103499882) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid
PubChem CID103499882
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H17FN2O3/c1-3-11(13(18)19)16(2)14(20)17-7-6-9-4-5-10(15)8-12(9)17/h4-5,8,11H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyRNGBZIYTLHEORG-UHFFFAOYSA-N
XLogP2.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
3-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]-2-methylbutanoic acid
CID 103499843
2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 103500124
2-bromo-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 103494351
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
CID 103501035
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
(2R)-2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]butanedioic acid
CID 103499983

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid (CID 103499882) is 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid?
The InChIKey is RNGBZIYTLHEORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-3-11(13(18)19)16(2)14(20)17-7-6-9-4-5-10(15)8-12(9)17/h4-5,8,11H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid?
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 103499882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).