(2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid

C16H12FN3O3 — CID 167928247

IUPAC(2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1n[nH]c2ccc(F)cc12
InChIInChI=1S/C16H12FN3O3/c17-10-6-7-12-11(8-10)14(20-19-12)15(21)18-13(16(22)23)9-4-2-1-3-5-9/h1-8,13H,(H,18,21)(H,19,20)(H,22,23)/t13-/m1/s1
InChIKeyOEZTWGGXTRVALO-CYBMUJFWSA-N
MW313.29 g/mol
LogP2.26
Rot. Bonds4

About (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 167928247) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid
PubChem CID167928247
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name(2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1n[nH]c2ccc(F)cc12
InChIInChI=1S/C16H12FN3O3/c17-10-6-7-12-11(8-10)14(20-19-12)15(21)18-13(16(22)23)9-4-2-1-3-5-9/h1-8,13H,(H,18,21)(H,19,20)(H,22,23)/t13-/m1/s1
InChIKeyOEZTWGGXTRVALO-CYBMUJFWSA-N
XLogP2.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid (CID 167928247) is (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)c1n[nH]c2ccc(F)cc12.
What is the InChIKey of (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is OEZTWGGXTRVALO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-10-6-7-12-11(8-10)14(20-19-12)15(21)18-13(16(22)23)9-4-2-1-3-5-9/h1-8,13H,(H,18,21)(H,19,20)(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 313.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-fluoro-1H-indazole-3-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 167928247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).