2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid

C18H15FN2O4 — CID 71595614

IUPAC2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cn(Cc2ccc(F)cc2)c2cccc(O)c12
InChIInChI=1S/C18H15FN2O4/c19-12-6-4-11(5-7-12)9-21-10-13(18(25)20-8-16(23)24)17-14(21)2-1-3-15(17)22/h1-7,10,22H,8-9H2,(H,20,25)(H,23,24)
InChIKeyOUKPNNYDNAKLAD-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.35
Rot. Bonds5

About 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid

2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid (PubChem CID 71595614) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid
PubChem CID71595614
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cn(Cc2ccc(F)cc2)c2cccc(O)c12
InChIInChI=1S/C18H15FN2O4/c19-12-6-4-11(5-7-12)9-21-10-13(18(25)20-8-16(23)24)17-14(21)2-1-3-15(17)22/h1-7,10,22H,8-9H2,(H,20,25)(H,23,24)
InChIKeyOUKPNNYDNAKLAD-UHFFFAOYSA-N
XLogP2.35
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid (CID 71595614) is 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1cn(Cc2ccc(F)cc2)c2cccc(O)c12.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid?
The InChIKey is OUKPNNYDNAKLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-12-6-4-11(5-7-12)9-21-10-13(18(25)20-8-16(23)24)17-14(21)2-1-3-15(17)22/h1-7,10,22H,8-9H2,(H,20,25)(H,23,24).
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid?
2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid has a molecular weight of 342.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)methyl]-4-hydroxyindole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 71595614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).