2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid

C15H19N3O3 — CID 99776369

IUPAC2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid
SMILESCC[C@@H](C)N(CC(=O)O)C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C15H19N3O3/c1-3-11(2)17(10-15(20)21)14(19)9-18-13-7-5-4-6-12(13)8-16-18/h4-8,11H,3,9-10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyHTKDRMPUHFQHJV-LLVKDONJSA-N
MW289.33 g/mol
LogP1.75
Rot. Bonds6

About 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid

2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid (PubChem CID 99776369) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid
PubChem CID99776369
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid
SMILESCC[C@@H](C)N(CC(=O)O)C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C15H19N3O3/c1-3-11(2)17(10-15(20)21)14(19)9-18-13-7-5-4-6-12(13)8-16-18/h4-8,11H,3,9-10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyHTKDRMPUHFQHJV-LLVKDONJSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid (CID 99776369) is 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid is CC[C@@H](C)N(CC(=O)O)C(=O)Cn1ncc2ccccc21.
What is the InChIKey of 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid?
The InChIKey is HTKDRMPUHFQHJV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-11(2)17(10-15(20)21)14(19)9-18-13-7-5-4-6-12(13)8-16-18/h4-8,11H,3,9-10H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid?
2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid is sourced from PubChem (CID 99776369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).