4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid

C13H15N3O3 — CID 75498144

IUPAC4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
SMILESCC(CNC(=O)c1cccc2cn[nH]c12)CC(=O)O
InChIInChI=1S/C13H15N3O3/c1-8(5-11(17)18)6-14-13(19)10-4-2-3-9-7-15-16-12(9)10/h2-4,7-8H,5-6H2,1H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyUQDABVIENRPDNM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.40
Rot. Bonds5

About 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid

4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid (PubChem CID 75498144) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
PubChem CID75498144
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
SMILESCC(CNC(=O)c1cccc2cn[nH]c12)CC(=O)O
InChIInChI=1S/C13H15N3O3/c1-8(5-11(17)18)6-14-13(19)10-4-2-3-9-7-15-16-12(9)10/h2-4,7-8H,5-6H2,1H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyUQDABVIENRPDNM-UHFFFAOYSA-N
XLogP1.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate
CID 47150573
3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid
CID 75526368
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
N-(2-cyclopentyl-2-hydroxyethyl)-1H-indazole-7-carboxamide
CID 111426218
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
CID 109380508
2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
CID 119193195
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide
CID 47024547
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide
CID 118929134
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057623
N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide
CID 111444821
(2S)-5-amino-2-(1H-indazole-7-carbonylamino)-5-oxopentanoic acid
CID 167788429

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid?
The IUPAC name of 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid (CID 75498144) is 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid.
What is the SMILES notation for 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid?
The canonical SMILES for 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid is CC(CNC(=O)c1cccc2cn[nH]c12)CC(=O)O.
What is the InChIKey of 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid?
The InChIKey is UQDABVIENRPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(5-11(17)18)6-14-13(19)10-4-2-3-9-7-15-16-12(9)10/h2-4,7-8H,5-6H2,1H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid?
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 75498144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).