[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate

C12H20N4O3 — CID 62114107

IUPAC[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
SMILESCCC(C)NC(=O)C(C)OC(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H20N4O3/c1-4-8(2)14-12(18)9(3)19-11(17)7-16-6-5-10(13)15-16/h5-6,8-9H,4,7H2,1-3H3,(H2,13,15)(H,14,18)
InChIKeyOYKJJCVQDUBKQY-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.31
Rot. Bonds6

About [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate

[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62114107) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62114107
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
SMILESCCC(C)NC(=O)C(C)OC(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H20N4O3/c1-4-8(2)14-12(18)9(3)19-11(17)7-16-6-5-10(13)15-16/h5-6,8-9H,4,7H2,1-3H3,(H2,13,15)(H,14,18)
InChIKeyOYKJJCVQDUBKQY-UHFFFAOYSA-N
XLogP0.31
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-methylbutylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
CID 62111923
2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
CID 60783220
2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid
CID 62111762
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate
CID 62112249
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate
CID 55035689
2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
CID 62197855
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621
2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
CID 62101706
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
CID 81317384
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158

Frequently Asked Questions

What is the IUPAC name of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate (CID 62114107) is [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate is CCC(C)NC(=O)C(C)OC(=O)Cn1ccc(N)n1.
What is the InChIKey of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is OYKJJCVQDUBKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-8(2)14-12(18)9(3)19-11(17)7-16-6-5-10(13)15-16/h5-6,8-9H,4,7H2,1-3H3,(H2,13,15)(H,14,18).
What are the key properties of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate?
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 268.32 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62114107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).