(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid

C14H12FNO4 — CID 97337478

IUPAC(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid
SMILESCc1occc1C(=O)N[C@H](C(=O)O)c1ccccc1F
InChIInChI=1S/C14H12FNO4/c1-8-9(6-7-20-8)13(17)16-12(14(18)19)10-4-2-3-5-11(10)15/h2-7,12H,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyGOSBMMOKBXYOGZ-LBPRGKRZSA-N
MW277.25 g/mol
LogP2.28
Rot. Bonds4

About (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid

(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid (PubChem CID 97337478) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid
PubChem CID97337478
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid
SMILESCc1occc1C(=O)N[C@H](C(=O)O)c1ccccc1F
InChIInChI=1S/C14H12FNO4/c1-8-9(6-7-20-8)13(17)16-12(14(18)19)10-4-2-3-5-11(10)15/h2-7,12H,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyGOSBMMOKBXYOGZ-LBPRGKRZSA-N
XLogP2.28
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid?
The IUPAC name of (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid (CID 97337478) is (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid is Cc1occc1C(=O)N[C@H](C(=O)O)c1ccccc1F.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid?
The InChIKey is GOSBMMOKBXYOGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-8-9(6-7-20-8)13(17)16-12(14(18)19)10-4-2-3-5-11(10)15/h2-7,12H,1H3,(H,16,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid?
(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid has a molecular weight of 277.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 97337478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).