(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid

C16H19N3O3 — CID 99851760

IUPAC(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)Cn1ncc2ccccc21)C1CC1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-11(16(21)22)9-18(13-6-7-13)15(20)10-19-14-5-3-2-4-12(14)8-17-19/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,22)/t11-/m1/s1
InChIKeyOQCOILCKCUVVEG-LLVKDONJSA-N
MW301.35 g/mol
LogP1.75
Rot. Bonds6

About (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid

(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid (PubChem CID 99851760) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid
PubChem CID99851760
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)Cn1ncc2ccccc21)C1CC1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-11(16(21)22)9-18(13-6-7-13)15(20)10-19-14-5-3-2-4-12(14)8-17-19/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,22)/t11-/m1/s1
InChIKeyOQCOILCKCUVVEG-LLVKDONJSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid (CID 99851760) is (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid is C[C@H](CN(C(=O)Cn1ncc2ccccc21)C1CC1)C(=O)O.
What is the InChIKey of (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid?
The InChIKey is OQCOILCKCUVVEG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(16(21)22)9-18(13-6-7-13)15(20)10-19-14-5-3-2-4-12(14)8-17-19/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid?
(2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid has a molecular weight of 301.35 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 (2R)-3-[cyclopropyl-(2-indazol-1-ylacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 99851760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).