2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid

C15H19N3O3 — CID 115429770

IUPAC2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-3-15(4-2,14(20)21)9-16-13(19)12-10-7-5-6-8-11(10)17-18-12/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyZQWJWTOZKIDEPK-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.18
Rot. Bonds6

About 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid

2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid (PubChem CID 115429770) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
PubChem CID115429770
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-3-15(4-2,14(20)21)9-16-13(19)12-10-7-5-6-8-11(10)17-18-12/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyZQWJWTOZKIDEPK-UHFFFAOYSA-N
XLogP2.18
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
CID 66171472
2-ethyl-2-[(isoquinoline-1-carbonylamino)methyl]butanoic acid
CID 120533419
N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 63889553
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide
CID 18225967
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
CID 64671096
2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid
CID 170858371
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid (CID 115429770) is 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid is CCC(CC)(CNC(=O)c1n[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid?
The InChIKey is ZQWJWTOZKIDEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-15(4-2,14(20)21)9-16-13(19)12-10-7-5-6-8-11(10)17-18-12/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid?
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid is sourced from PubChem (CID 115429770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).