3-(1H-indazole-5-carbonylamino)butanoic acid

C12H13N3O3 — CID 43172665

IUPAC3-(1H-indazole-5-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H13N3O3/c1-7(4-11(16)17)14-12(18)8-2-3-10-9(5-8)6-13-15-10/h2-3,5-7H,4H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyVQFQJDFUKQFVJE-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.16
Rot. Bonds4

About 3-(1H-indazole-5-carbonylamino)butanoic acid

3-(1H-indazole-5-carbonylamino)butanoic acid (PubChem CID 43172665) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-(1H-indazole-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(1H-indazole-5-carbonylamino)butanoic acid
PubChem CID43172665
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-(1H-indazole-5-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H13N3O3/c1-7(4-11(16)17)14-12(18)8-2-3-10-9(5-8)6-13-15-10/h2-3,5-7H,4H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyVQFQJDFUKQFVJE-UHFFFAOYSA-N
XLogP1.16
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate
CID 80999514
methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
CID 119042310
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
2-(1H-indazol-5-ylamino)butanedioic acid
CID 21102094
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazole-5-carbonylamino)butanoic acid?
The IUPAC name of 3-(1H-indazole-5-carbonylamino)butanoic acid (CID 43172665) is 3-(1H-indazole-5-carbonylamino)butanoic acid.
What is the SMILES notation for 3-(1H-indazole-5-carbonylamino)butanoic acid?
The canonical SMILES for 3-(1H-indazole-5-carbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(1H-indazole-5-carbonylamino)butanoic acid?
The InChIKey is VQFQJDFUKQFVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7(4-11(16)17)14-12(18)8-2-3-10-9(5-8)6-13-15-10/h2-3,5-7H,4H2,1H3,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 3-(1H-indazole-5-carbonylamino)butanoic acid?
3-(1H-indazole-5-carbonylamino)butanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazole-5-carbonylamino)butanoic acid is sourced from PubChem (CID 43172665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).