[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate

C11H18N4O4 — CID 61488037

IUPAC[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate
SMILESCOCC(C)NC(=O)COC(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H18N4O4/c1-8(6-18-2)14-10(16)7-19-11(17)5-15-4-9(12)3-13-15/h3-4,8H,5-7,12H2,1-2H3,(H,14,16)
InChIKeyUVGGPKFKRSCCSM-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.84
Rot. Bonds7

About [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61488037) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61488037
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate
SMILESCOCC(C)NC(=O)COC(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H18N4O4/c1-8(6-18-2)14-10(16)7-19-11(17)5-15-4-9(12)3-13-15/h3-4,8H,5-7,12H2,1-2H3,(H,14,16)
InChIKeyUVGGPKFKRSCCSM-UHFFFAOYSA-N
XLogP-0.84
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate (CID 61488037) is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate is COCC(C)NC(=O)COC(=O)Cn1cc(N)cn1.
What is the InChIKey of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is UVGGPKFKRSCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-8(6-18-2)14-10(16)7-19-11(17)5-15-4-9(12)3-13-15/h3-4,8H,5-7,12H2,1-2H3,(H,14,16).
What are the key properties of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate?
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 270.29 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61488037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).