methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate

C11H19N3O2 — CID 99716384

IUPACmethyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
SMILESCCc1nn(C)cc1CN[C@H](C)C(=O)OC
InChIInChI=1S/C11H19N3O2/c1-5-10-9(7-14(3)13-10)6-12-8(2)11(15)16-4/h7-8,12H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyCROWPSITCZBPIJ-MRVPVSSYSA-N
MW225.29 g/mol
LogP0.63
Rot. Bonds5

About methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate

methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate (PubChem CID 99716384) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
PubChem CID99716384
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
SMILESCCc1nn(C)cc1CN[C@H](C)C(=O)OC
InChIInChI=1S/C11H19N3O2/c1-5-10-9(7-14(3)13-10)6-12-8(2)11(15)16-4/h7-8,12H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyCROWPSITCZBPIJ-MRVPVSSYSA-N
XLogP0.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate?
The IUPAC name of methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate (CID 99716384) is methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate?
The canonical SMILES for methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate is CCc1nn(C)cc1CN[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate?
The InChIKey is CROWPSITCZBPIJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-10-9(7-14(3)13-10)6-12-8(2)11(15)16-4/h7-8,12H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate?
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate has a molecular weight of 225.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 99716384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).