2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid

C17H17FN2O4 — CID 58882950

IUPAC2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid
SMILESCCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCC(=O)O
InChIInChI=1S/C17H17FN2O4/c1-2-24-17(23)16-14(19-10-15(21)22)8-12(9-20-16)7-11-3-5-13(18)6-4-11/h3-6,8-9,19H,2,7,10H2,1H3,(H,21,22)
InChIKeyYDPNOGKIDSWKMU-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.48
Rot. Bonds7

About 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid

2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid (PubChem CID 58882950) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid
PubChem CID58882950
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid
SMILESCCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCC(=O)O
InChIInChI=1S/C17H17FN2O4/c1-2-24-17(23)16-14(19-10-15(21)22)8-12(9-20-16)7-11-3-5-13(18)6-4-11/h3-6,8-9,19H,2,7,10H2,1H3,(H,21,22)
InChIKeyYDPNOGKIDSWKMU-UHFFFAOYSA-N
XLogP2.48
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid (CID 58882950) is 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid is CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCC(=O)O.
What is the InChIKey of 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid?
The InChIKey is YDPNOGKIDSWKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-2-24-17(23)16-14(19-10-15(21)22)8-12(9-20-16)7-11-3-5-13(18)6-4-11/h3-6,8-9,19H,2,7,10H2,1H3,(H,21,22).
What are the key properties of 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid?
2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid has a molecular weight of 332.33 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]-3-pyridinyl]amino]acetic acid is sourced from PubChem (CID 58882950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).