(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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Related Compounds

2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid
CID 119172025
2-[[(2R)-butan-2-yl]-(2-indazol-1-ylacetyl)amino]acetic acid
CID 99776369
3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 122108377
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 82325252
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420
N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide
CID 71864031
2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide
CID 154800335
2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone
CID 62140199
3-[cyclopropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120535407
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
3-[cyclopropyl-[2-(2,4-difluorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 120535316

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).