methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate

C12H15N3O2 — CID 59833953

IUPACmethyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C12H15N3O2/c1-7-3-8(5-10(13)12(16)17-2)4-9-6-14-15-11(7)9/h3-4,6,10H,5,13H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyIWYBATOKIPKBEJ-SNVBAGLBSA-N
MW233.27 g/mol
LogP0.91
Rot. Bonds3

About methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate

methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate (PubChem CID 59833953) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate
PubChem CID59833953
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C12H15N3O2/c1-7-3-8(5-10(13)12(16)17-2)4-9-6-14-15-11(7)9/h3-4,6,10H,5,13H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyIWYBATOKIPKBEJ-SNVBAGLBSA-N
XLogP0.91
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate (CID 59833953) is methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate is COC(=O)[C@H](N)Cc1cc(C)c2[nH]ncc2c1.
What is the InChIKey of methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate?
The InChIKey is IWYBATOKIPKBEJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-3-8(5-10(13)12(16)17-2)4-9-6-14-15-11(7)9/h3-4,6,10H,5,13H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate?
methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate has a molecular weight of 233.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate is sourced from PubChem (CID 59833953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).