2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid

C14H21N3O3 — CID 75497786

IUPAC2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid
SMILESCC(C)C(C)(NC(=O)c1n[nH]c2c1CCCC2)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-8(2)14(3,13(19)20)15-12(18)11-9-6-4-5-7-10(9)16-17-11/h8H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyJQARRRADXXVVRX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds4

About 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid

2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid (PubChem CID 75497786) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid
PubChem CID75497786
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid
SMILESCC(C)C(C)(NC(=O)c1n[nH]c2c1CCCC2)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-8(2)14(3,13(19)20)15-12(18)11-9-6-4-5-7-10(9)16-17-11/h8H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyJQARRRADXXVVRX-UHFFFAOYSA-N
XLogP1.52
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3455772
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 170232622
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
N-[(4-propan-2-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687707
N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-[(4-propan-2-ylphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3831374
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820248
(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid
CID 91645213
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid?
The IUPAC name of 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid (CID 75497786) is 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid is CC(C)C(C)(NC(=O)c1n[nH]c2c1CCCC2)C(=O)O.
What is the InChIKey of 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid?
The InChIKey is JQARRRADXXVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)14(3,13(19)20)15-12(18)11-9-6-4-5-7-10(9)16-17-11/h8H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid?
2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid is sourced from PubChem (CID 75497786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).