(2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid

C16H13N3O3 — CID 92755744

IUPAC(2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H13N3O3/c20-15(14-11-8-4-5-9-12(11)18-19-14)17-13(16(21)22)10-6-2-1-3-7-10/h1-9,13H,(H,17,20)(H,18,19)(H,21,22)/t13-/m0/s1
InChIKeyPRUQLYJMCGCNKJ-ZDUSSCGKSA-N
MW295.30 g/mol
LogP2.12
Rot. Bonds4

About (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid

(2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid (PubChem CID 92755744) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid
PubChem CID92755744
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name(2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H13N3O3/c20-15(14-11-8-4-5-9-12(11)18-19-14)17-13(16(21)22)10-6-2-1-3-7-10/h1-9,13H,(H,17,20)(H,18,19)(H,21,22)/t13-/m0/s1
InChIKeyPRUQLYJMCGCNKJ-ZDUSSCGKSA-N
XLogP2.12
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid (CID 92755744) is (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1n[nH]c2ccccc12.
What is the InChIKey of (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid?
The InChIKey is PRUQLYJMCGCNKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-15(14-11-8-4-5-9-12(11)18-19-14)17-13(16(21)22)10-6-2-1-3-7-10/h1-9,13H,(H,17,20)(H,18,19)(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid?
(2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid has a molecular weight of 295.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-indazole-3-carbonylamino)-2-phenylacetic acid is sourced from PubChem (CID 92755744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).