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

C11H11N3O4 — CID 66166001

IUPAC2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H11N3O4/c15-9(11(17)18)5-12-10(16)6-1-2-7-4-13-14-8(7)3-6/h1-4,9,15H,5H2,(H,12,16)(H,13,14)(H,17,18)
InChIKeyLQAUUSNUSODPTH-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.26
Rot. Bonds4

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

2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid (PubChem CID 66166001) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid
PubChem CID66166001
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H11N3O4/c15-9(11(17)18)5-12-10(16)6-1-2-7-4-13-14-8(7)3-6/h1-4,9,15H,5H2,(H,12,16)(H,13,14)(H,17,18)
InChIKeyLQAUUSNUSODPTH-UHFFFAOYSA-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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Related Compounds

N-(2-hydroxy-2-phenylethyl)-1H-indazole-6-carboxamide
CID 43394671
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
3-(3H-benzimidazole-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166620
N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-6-carboxamide
CID 103743848
N-[(2-bromophenyl)methyl]-1H-indazole-6-carboxamide
CID 62062398
N-(4,4,4-trifluorobutyl)-1H-indazole-6-carboxamide
CID 79039225
N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
CID 115665391
N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
CID 113246168

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid (CID 66166001) is 2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid is O=C(NCC(O)C(=O)O)c1ccc2cn[nH]c2c1.
What is the InChIKey of 2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid?
The InChIKey is LQAUUSNUSODPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-9(11(17)18)5-12-10(16)6-1-2-7-4-13-14-8(7)3-6/h1-4,9,15H,5H2,(H,12,16)(H,13,14)(H,17,18).
What are the key properties of 2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid?
2-hydroxy-3-(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 2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid is sourced from PubChem (CID 66166001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).