2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid

C14H17N3O3 — CID 119193195

IUPAC2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C14H17N3O3/c1-9(2)7-17(8-12(18)19)14(20)11-5-3-4-10-6-15-16-13(10)11/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyMLDGYFBDWYWGTF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.75
Rot. Bonds5

About 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid

2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid (PubChem CID 119193195) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
PubChem CID119193195
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C14H17N3O3/c1-9(2)7-17(8-12(18)19)14(20)11-5-3-4-10-6-15-16-13(10)11/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyMLDGYFBDWYWGTF-UHFFFAOYSA-N
XLogP1.75
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
2-[isoquinoline-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 120517309
2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid
CID 119203134
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 107687977
2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 120686044
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indazole-7-carboxamide
CID 33033043
2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63072391
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63071857
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
CID 109380508
1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
CID 162334687

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid (CID 119193195) is 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1cccc2cn[nH]c12.
What is the InChIKey of 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid?
The InChIKey is MLDGYFBDWYWGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)7-17(8-12(18)19)14(20)11-5-3-4-10-6-15-16-13(10)11/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid?
2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid has a molecular weight of 275.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).