(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
CID 61119424
2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid
CID 138042550
2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
CID 75357523
2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
CID 75516569
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 107314250

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).