2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid

C79H81F7N14O14 — CID 158847751

IUPAC2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid
SMILESCC(N)(Cc1c[nH]c2cc(F)ccc12)C(=O)O.CC(N)(Cc1c[nH]c2ccc(F)cc12)C(=O)O.NC(Cc1c(F)[nH]c2ccccc12)C(=O)O.NC(Cc1c[nH]c2c(F)cccc12)C(=O)O.NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O.NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O.NC(Cc1c[nH]c2cccc(F)c12)C(=O)O
InChIInChI=1S/2C12H13FN2O2.5C11H11FN2O2/c1-12(14,11(16)17)5-7-6-15-10-3-2-8(13)4-9(7)10;1-12(14,11(16)17)5-7-6-15-10-4-8(13)2-3-9(7)10;12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16;12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16;12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16;12-10-7(5-8(13)11(15)16)6-3-1-2-4-9(6)14-10/h2*2-4,6,15H,5,14H2,1H3,(H,16,17);2*1-2,4-5,9,14H,3,13H2,(H,15,16);1-3,5,8,14H,4,13H2,(H,15,16);1-3,5,9,14H,4,13H2,(H,15,16);1-4,8,14H,5,13H2,(H,15,16)
InChIKeyIZAYYMXGCDJNLD-UHFFFAOYSA-N
MW1583.59 g/mol
LogP9.61
Rot. Bonds21

About 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid

2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid (PubChem CID 158847751) has the molecular formula C79H81F7N14O14 and a molecular weight of 1583.59 g/mol. Its IUPAC name is 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid
PubChem CID158847751
Molecular FormulaC79H81F7N14O14
Molecular Weight1583.59 g/mol
Exact Mass1582.59
IUPAC Name2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid
SMILESCC(N)(Cc1c[nH]c2cc(F)ccc12)C(=O)O.CC(N)(Cc1c[nH]c2ccc(F)cc12)C(=O)O.NC(Cc1c(F)[nH]c2ccccc12)C(=O)O.NC(Cc1c[nH]c2c(F)cccc12)C(=O)O.NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O.NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O.NC(Cc1c[nH]c2cccc(F)c12)C(=O)O
InChIInChI=1S/2C12H13FN2O2.5C11H11FN2O2/c1-12(14,11(16)17)5-7-6-15-10-3-2-8(13)4-9(7)10;1-12(14,11(16)17)5-7-6-15-10-4-8(13)2-3-9(7)10;12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16;12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16;12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16;12-10-7(5-8(13)11(15)16)6-3-1-2-4-9(6)14-10/h2*2-4,6,15H,5,14H2,1H3,(H,16,17);2*1-2,4-5,9,14H,3,13H2,(H,15,16);1-3,5,8,14H,4,13H2,(H,15,16);1-3,5,9,14H,4,13H2,(H,15,16);1-4,8,14H,5,13H2,(H,15,16)
InChIKeyIZAYYMXGCDJNLD-UHFFFAOYSA-N
XLogP9.61
TPSA553.77 Ų
H-Bond Donors21
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001583.59
LogP ≤ 59.61
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1014

Analyze 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

Trp-Trp-Trp
CID 44398561
(2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 155533241
Pwgf(CH2NH)wwfw
CID 44302261
H-Trp-Arg-Ile-Arg-Arg-Arg-Trp-Pro-Arg-Leu-Pro-Arg-Pro-Arg-Trp-Arg-OH
CID 156012594
H-Arg-Leu-Pro-Trp-Arg-Trp-Pro-Arg-Arg-Pro-Trp-Arg-Arg-OH
CID 162675450
lauroyl-Lys-Lys-Trp-Lys-Lys(1)-Lys(2)-Gly-OH.lauroyl-Lys-Lys-Trp-Lys-Lys(3)-(2).lauroyl-Lys-Lys-Trp-Lys-(3).lauroyl-Lys-Lys-Trp-Lys-(1)
CID 168269353
lauroyl-Lys-Trp-Lys-Lys-Lys(1)-Lys(2)-Gly-OH.lauroyl-Lys-Trp-Lys-Lys-Lys(3)-(2).lauroyl-Lys-Trp-Lys-Lys-(3).lauroyl-Lys-Trp-Lys-Lys-(1)
CID 168269807
palmitoyl-Lys-Trp-Lys-Lys-Lys(1)-Lys(2)-Gly-OH.palmitoyl-Lys-Trp-Lys-Lys-Lys(3)-(2).palmitoyl-Lys-Trp-Lys-Lys-(3).palmitoyl-Lys-Trp-Lys-Lys-(1)
CID 168272124
nonanoyl-Lys-Trp-Lys-Lys-Lys(1)-Lys(2)-Gly-OH.nonanoyl-DL-Lys-DL-Trp-DL-Lys-DL-Lys-Lys(3)-(2).nonanoyl-Lys-Trp-Lys-Lys-(1).nonanoyl-Lys-Trp-Lys-Lys-(3)
CID 168273325
(2S)-2-[[4-[3-[3-[3-[[1,7-bis[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-2-yl)propanoic acid
CID 168279390
octanoyl-Lys-Lys-Trp-Lys-Lys(1)-Lys(2)-Gly-OH.octanoyl-Lys-Lys-Trp-Lys-Lys(3)-(2).octanoyl-Lys-Lys-Trp-Lys-(3).octanoyl-Lys-Lys-Trp-Lys-(1)
CID 168279458
palmitoyl-Lys-Lys-Trp-Lys-Lys(1)-Lys(2)-Gly-OH.palmitoyl-Lys-Lys-Trp-Lys-Lys(3)-(2).palmitoyl-Lys-Lys-Trp-Lys-(3).palmitoyl-Lys-Lys-Trp-Lys-(1)
CID 168294668

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid (CID 158847751) is 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid is CC(N)(Cc1c[nH]c2cc(F)ccc12)C(=O)O.CC(N)(Cc1c[nH]c2ccc(F)cc12)C(=O)O.NC(Cc1c(F)[nH]c2ccccc12)C(=O)O.NC(Cc1c[nH]c2c(F)cccc12)C(=O)O.NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O.NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O.NC(Cc1c[nH]c2cccc(F)c12)C(=O)O.
What is the InChIKey of 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid?
The InChIKey is IZAYYMXGCDJNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13FN2O2.5C11H11FN2O2/c1-12(14,11(16)17)5-7-6-15-10-3-2-8(13)4-9(7)10;1-12(14,11(16)17)5-7-6-15-10-4-8(13)2-3-9(7)10;12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16;12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16;12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16;12-10-7(5-8(13)11(15)16)6-3-1-2-4-9(6)14-10/h2*2-4,6,15H,5,14H2,1H3,(H,16,17);2*1-2,4-5,9,14H,3,13H2,(H,15,16);1-3,5,8,14H,4,13H2,(H,15,16);1-3,5,9,14H,4,13H2,(H,15,16);1-4,8,14H,5,13H2,(H,15,16).
What are the key properties of 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid?
2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid has a molecular weight of 1583.59 g/mol, XLogP of 9.61, 21 rotatable bonds, 21 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 158847751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).