[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate

C10H16N4O3 — CID 55035689

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate
SMILESCC(C)NC(=O)COC(=O)Cn1ccc(N)n1
InChIInChI=1S/C10H16N4O3/c1-7(2)12-9(15)6-17-10(16)5-14-4-3-8(11)13-14/h3-4,7H,5-6H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyMPGLDPWDZGEPOL-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.47
Rot. Bonds5

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 55035689) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate
PubChem CID55035689
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate
SMILESCC(C)NC(=O)COC(=O)Cn1ccc(N)n1
InChIInChI=1S/C10H16N4O3/c1-7(2)12-9(15)6-17-10(16)5-14-4-3-8(11)13-14/h3-4,7H,5-6H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyMPGLDPWDZGEPOL-UHFFFAOYSA-N
XLogP-0.47
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
CID 60783220
2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
CID 62101706
2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid
CID 62111762
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
CID 62114107
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide
CID 63316097
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
CID 62197855
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate
CID 62112249

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate (CID 55035689) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate is CC(C)NC(=O)COC(=O)Cn1ccc(N)n1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is MPGLDPWDZGEPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(2)12-9(15)6-17-10(16)5-14-4-3-8(11)13-14/h3-4,7H,5-6H2,1-2H3,(H2,11,13)(H,12,15).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 240.26 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 55035689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).