methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate

C14H17N3O4 — CID 97260617

IUPACmethyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
SMILESCOC[C@@H](NC(=O)Cn1ncc2ccccc21)C(=O)OC
InChIInChI=1S/C14H17N3O4/c1-20-9-11(14(19)21-2)16-13(18)8-17-12-6-4-3-5-10(12)7-15-17/h3-7,11H,8-9H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyOJOCDYQPNIKKNU-LLVKDONJSA-N
MW291.31 g/mol
LogP0.34
Rot. Bonds6

About methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate

methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate (PubChem CID 97260617) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
PubChem CID97260617
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
SMILESCOC[C@@H](NC(=O)Cn1ncc2ccccc21)C(=O)OC
InChIInChI=1S/C14H17N3O4/c1-20-9-11(14(19)21-2)16-13(18)8-17-12-6-4-3-5-10(12)7-15-17/h3-7,11H,8-9H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyOJOCDYQPNIKKNU-LLVKDONJSA-N
XLogP0.34
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
methyl (2S)-2-[[2-[(2-indazol-1-ylacetyl)amino]acetyl]amino]-3-methylbutanoate
CID 24800202
N-(2-hydroxy-3-methoxypropyl)-2-indazol-1-yl-N-methylacetamide
CID 71864031
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide
CID 110002753
methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate
CID 63039954
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
2-indazol-1-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906024
2-indazol-1-yl-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906025
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-2-indazol-1-ylacetamide
CID 20885367

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate?
The IUPAC name of methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate (CID 97260617) is methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate.
What is the SMILES notation for methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate?
The canonical SMILES for methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate is COC[C@@H](NC(=O)Cn1ncc2ccccc21)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate?
The InChIKey is OJOCDYQPNIKKNU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-20-9-11(14(19)21-2)16-13(18)8-17-12-6-4-3-5-10(12)7-15-17/h3-7,11H,8-9H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate?
methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate has a molecular weight of 291.31 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate is sourced from PubChem (CID 97260617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).