2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid

C16H15FN2O4 — CID 162731662

IUPAC2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1cc(Cc2ccc(F)cc2)c(O)c(C(=O)NCC(=O)O)n1
InChIInChI=1S/C16H15FN2O4/c1-9-6-11(7-10-2-4-12(17)5-3-10)15(22)14(19-9)16(23)18-8-13(20)21/h2-6,22H,7-8H2,1H3,(H,18,23)(H,20,21)
InChIKeyCSYUTQRJJAMPMQ-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.64
Rot. Bonds5

About 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid

2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731662) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid
PubChem CID162731662
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1cc(Cc2ccc(F)cc2)c(O)c(C(=O)NCC(=O)O)n1
InChIInChI=1S/C16H15FN2O4/c1-9-6-11(7-10-2-4-12(17)5-3-10)15(22)14(19-9)16(23)18-8-13(20)21/h2-6,22H,7-8H2,1H3,(H,18,23)(H,20,21)
InChIKeyCSYUTQRJJAMPMQ-UHFFFAOYSA-N
XLogP1.64
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid (CID 162731662) is 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid is Cc1cc(Cc2ccc(F)cc2)c(O)c(C(=O)NCC(=O)O)n1.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid?
The InChIKey is CSYUTQRJJAMPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-9-6-11(7-10-2-4-12(17)5-3-10)15(22)14(19-9)16(23)18-8-13(20)21/h2-6,22H,7-8H2,1H3,(H,18,23)(H,20,21).
What are the key properties of 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid?
2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid has a molecular weight of 318.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methyl]-3-hydroxy-6-methylpyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).