(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid

C11H11N3O4 — CID 80751119

IUPAC(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H11N3O4/c15-5-9(11(17)18)13-10(16)6-1-2-7-4-12-14-8(7)3-6/h1-4,9,15H,5H2,(H,12,14)(H,13,16)(H,17,18)/t9-/m1/s1
InChIKeyNWQOJXDZZSBQRA-SECBINFHSA-N
MW249.23 g/mol
LogP-0.26
Rot. Bonds4

About (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid

(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid (PubChem CID 80751119) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
PubChem CID80751119
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H11N3O4/c15-5-9(11(17)18)13-10(16)6-1-2-7-4-12-14-8(7)3-6/h1-4,9,15H,5H2,(H,12,14)(H,13,16)(H,17,18)/t9-/m1/s1
InChIKeyNWQOJXDZZSBQRA-SECBINFHSA-N
XLogP-0.26
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid (CID 80751119) is (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid is O=C(N[C@H](CO)C(=O)O)c1ccc2cn[nH]c2c1.
What is the InChIKey of (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid?
The InChIKey is NWQOJXDZZSBQRA-SECBINFHSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-5-9(11(17)18)13-10(16)6-1-2-7-4-12-14-8(7)3-6/h1-4,9,15H,5H2,(H,12,14)(H,13,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid?
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid has a molecular weight of 249.23 g/mol, XLogP of -0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid is sourced from PubChem (CID 80751119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).