methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate

C13H22N4O3 — CID 170883513

IUPACmethyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate
SMILESCOC(=O)C(N)Cc1c(C)nn(C)c1N1CCOCC1
InChIInChI=1S/C13H22N4O3/c1-9-10(8-11(14)13(18)19-3)12(16(2)15-9)17-4-6-20-7-5-17/h11H,4-8,14H2,1-3H3
InChIKeyJTQUNLQRYGFOTO-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.39
Rot. Bonds4

About methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate

methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate (PubChem CID 170883513) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate
PubChem CID170883513
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Namemethyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate
SMILESCOC(=O)C(N)Cc1c(C)nn(C)c1N1CCOCC1
InChIInChI=1S/C13H22N4O3/c1-9-10(8-11(14)13(18)19-3)12(16(2)15-9)17-4-6-20-7-5-17/h11H,4-8,14H2,1-3H3
InChIKeyJTQUNLQRYGFOTO-UHFFFAOYSA-N
XLogP-0.39
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate (CID 170883513) is methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate is COC(=O)C(N)Cc1c(C)nn(C)c1N1CCOCC1.
What is the InChIKey of methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate?
The InChIKey is JTQUNLQRYGFOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9-10(8-11(14)13(18)19-3)12(16(2)15-9)17-4-6-20-7-5-17/h11H,4-8,14H2,1-3H3.
What are the key properties of methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate?
methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate has a molecular weight of 282.34 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate is sourced from PubChem (CID 170883513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).