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

C12H13FN2O3 — CID 103499852

IUPAC2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C12H13FN2O3/c1-7(11(16)17)14-12(18)15-5-4-8-2-3-9(13)6-10(8)15/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyKXCHJFIIWBAUKO-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.37
Rot. Bonds2

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

2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid (PubChem CID 103499852) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
PubChem CID103499852
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C12H13FN2O3/c1-7(11(16)17)14-12(18)15-5-4-8-2-3-9(13)6-10(8)15/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyKXCHJFIIWBAUKO-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]-2-methylbutanoic acid
CID 103499843
4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 103500124
(2R)-2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]butanedioic acid
CID 103499983
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid
CID 103499882
2-bromo-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 103494351
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbutanoic acid
CID 103498081
2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
CID 103810185

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid (CID 103499852) is 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid is CC(NC(=O)N1CCc2ccc(F)cc21)C(=O)O.
What is the InChIKey of 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid?
The InChIKey is KXCHJFIIWBAUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-7(11(16)17)14-12(18)15-5-4-8-2-3-9(13)6-10(8)15/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid?
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid has a molecular weight of 252.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 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)amino]propanoic acid is sourced from PubChem (CID 103499852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).