3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid

C14H19FN2O2 — CID 103501858

IUPAC3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid
SMILESCCCNC(CN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C14H19FN2O2/c1-2-6-16-12(14(18)19)9-17-7-5-10-3-4-11(15)8-13(10)17/h3-4,8,12,16H,2,5-7,9H2,1H3,(H,18,19)
InChIKeyVPCMHVYCGHICCU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.64
Rot. Bonds6

About 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid

3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid (PubChem CID 103501858) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid
PubChem CID103501858
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid
SMILESCCCNC(CN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C14H19FN2O2/c1-2-6-16-12(14(18)19)9-17-7-5-10-3-4-11(15)8-13(10)17/h3-4,8,12,16H,2,5-7,9H2,1H3,(H,18,19)
InChIKeyVPCMHVYCGHICCU-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
CID 103501880
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
CID 103494946
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
(2R)-2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]butanedioic acid
CID 103499983
2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
CID 103503737
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid?
The IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid (CID 103501858) is 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid?
The canonical SMILES for 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid is CCCNC(CN1CCc2ccc(F)cc21)C(=O)O.
What is the InChIKey of 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid?
The InChIKey is VPCMHVYCGHICCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-6-16-12(14(18)19)9-17-7-5-10-3-4-11(15)8-13(10)17/h3-4,8,12,16H,2,5-7,9H2,1H3,(H,18,19).
What are the key properties of 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid?
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid is sourced from PubChem (CID 103501858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).