2-(1H-indazol-5-ylamino)butanedioic acid

C11H11N3O4 — CID 21102094

IUPAC2-(1H-indazol-5-ylamino)butanedioic acid
SMILESO=C(O)CC(Nc1ccc2[nH]ncc2c1)C(=O)O
InChIInChI=1S/C11H11N3O4/c15-10(16)4-9(11(17)18)13-7-1-2-8-6(3-7)5-12-14-8/h1-3,5,9,13H,4H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeyDMQVSEYDXQZPHL-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.90
Rot. Bonds5

About 2-(1H-indazol-5-ylamino)butanedioic acid

2-(1H-indazol-5-ylamino)butanedioic acid (PubChem CID 21102094) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(1H-indazol-5-ylamino)butanedioic acid.

Molecular Properties

Compound Name2-(1H-indazol-5-ylamino)butanedioic acid
PubChem CID21102094
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-(1H-indazol-5-ylamino)butanedioic acid
SMILESO=C(O)CC(Nc1ccc2[nH]ncc2c1)C(=O)O
InChIInChI=1S/C11H11N3O4/c15-10(16)4-9(11(17)18)13-7-1-2-8-6(3-7)5-12-14-8/h1-3,5,9,13H,4H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeyDMQVSEYDXQZPHL-UHFFFAOYSA-N
XLogP0.90
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
2-(1H-indazol-5-yl)acetic acid
CID 39103838
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
[(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid
CID 90892202
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
5-(sulfinoamino)-1H-indazole
CID 68877895
N-(4-phenylbutan-2-yl)-1H-indazol-5-amine
CID 43690949
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-ylamino)butanedioic acid?
The IUPAC name of 2-(1H-indazol-5-ylamino)butanedioic acid (CID 21102094) is 2-(1H-indazol-5-ylamino)butanedioic acid.
What is the SMILES notation for 2-(1H-indazol-5-ylamino)butanedioic acid?
The canonical SMILES for 2-(1H-indazol-5-ylamino)butanedioic acid is O=C(O)CC(Nc1ccc2[nH]ncc2c1)C(=O)O.
What is the InChIKey of 2-(1H-indazol-5-ylamino)butanedioic acid?
The InChIKey is DMQVSEYDXQZPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-10(16)4-9(11(17)18)13-7-1-2-8-6(3-7)5-12-14-8/h1-3,5,9,13H,4H2,(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 2-(1H-indazol-5-ylamino)butanedioic acid?
2-(1H-indazol-5-ylamino)butanedioic acid has a molecular weight of 249.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-ylamino)butanedioic acid is sourced from PubChem (CID 21102094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).