(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid

C13H15N3O3 — CID 79011193

IUPAC(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-7(2)11(13(18)19)15-12(17)8-3-4-10-9(5-8)6-14-16-10/h3-7,11H,1-2H3,(H,14,16)(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyWJLCVYYRJWVHGS-LLVKDONJSA-N
MW261.28 g/mol
LogP1.40
Rot. Bonds4

About (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid

(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid (PubChem CID 79011193) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
PubChem CID79011193
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-7(2)11(13(18)19)15-12(17)8-3-4-10-9(5-8)6-14-16-10/h3-7,11H,1-2H3,(H,14,16)(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyWJLCVYYRJWVHGS-LLVKDONJSA-N
XLogP1.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
N-methyl-1H-indazole-5-carboxamide
CID 22934041
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115283782
methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
CID 119042310
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-methylbutanoic acid
CID 63733070

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid (CID 79011193) is (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)O.
What is the InChIKey of (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid?
The InChIKey is WJLCVYYRJWVHGS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7(2)11(13(18)19)15-12(17)8-3-4-10-9(5-8)6-14-16-10/h3-7,11H,1-2H3,(H,14,16)(H,15,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid?
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 79011193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).