4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid

C14H17FN2O3 — CID 103500124

IUPAC4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H17FN2O3/c1-9(2-5-13(18)19)16-14(20)17-7-6-10-3-4-11(15)8-12(10)17/h3-4,8-9H,2,5-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyLSDDTGOWVCERQK-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.15
Rot. Bonds4

About 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid

4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid (PubChem CID 103500124) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
PubChem CID103500124
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H17FN2O3/c1-9(2-5-13(18)19)16-14(20)17-7-6-10-3-4-11(15)8-12(10)17/h3-4,8-9H,2,5-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyLSDDTGOWVCERQK-UHFFFAOYSA-N
XLogP2.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852
3-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]-2-methylbutanoic acid
CID 103499843
(2R)-2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]butanedioic acid
CID 103499983
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
CID 103810185
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid
CID 103499882
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
2-bromo-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 103494351

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid (CID 103500124) is 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid?
The InChIKey is LSDDTGOWVCERQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9(2-5-13(18)19)16-14(20)17-7-6-10-3-4-11(15)8-12(10)17/h3-4,8-9H,2,5-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid?
4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 103500124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).