2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid

C19H17FN2O3 — CID 4902610

IUPAC2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCn1c(C(=O)NC(Cc2ccccc2)C(=O)O)cc2cc(F)ccc21
InChIInChI=1S/C19H17FN2O3/c1-22-16-8-7-14(20)10-13(16)11-17(22)18(23)21-15(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,15H,9H2,1H3,(H,21,23)(H,24,25)
InChIKeyNTZRZFXUEYRDCQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.74
Rot. Bonds5

About 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid

2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 4902610) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID4902610
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCn1c(C(=O)NC(Cc2ccccc2)C(=O)O)cc2cc(F)ccc21
InChIInChI=1S/C19H17FN2O3/c1-22-16-8-7-14(20)10-13(16)11-17(22)18(23)21-15(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,15H,9H2,1H3,(H,21,23)(H,24,25)
InChIKeyNTZRZFXUEYRDCQ-UHFFFAOYSA-N
XLogP2.74
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 4908213
2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 4908367
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid
CID 4868507
(2S)-2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoic acid
CID 7596177
2-[[2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 4837291
N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide
CID 110848424
2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 4964698
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]-1-methylindole-2-carboxamide
CID 140510216
3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid
CID 167977206
(2S)-3-(4-hydroxyphenyl)-2-[(2-methyl-1-oxoisoquinoline-3-carbonyl)amino]propanoic acid
CID 167977581
2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 4964417
(2S)-2-[(1-methylindole-2-carbonyl)amino]hexanoic acid
CID 59453906

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid (CID 4902610) is 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid is Cn1c(C(=O)NC(Cc2ccccc2)C(=O)O)cc2cc(F)ccc21.
What is the InChIKey of 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is NTZRZFXUEYRDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-22-16-8-7-14(20)10-13(16)11-17(22)18(23)21-15(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,15H,9H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid?
2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 340.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 4902610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).