2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid

C11H16N4O5 — CID 61460963

IUPAC2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESCC(Cn1cccn1)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H16N4O5/c1-8(5-15-4-2-3-12-15)13-11(19)14-9(16)6-20-7-10(17)18/h2-4,8H,5-7H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyIHIRQNVZVBNVLO-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.80
Rot. Bonds7

About 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid

2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid (PubChem CID 61460963) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
PubChem CID61460963
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESCC(Cn1cccn1)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H16N4O5/c1-8(5-15-4-2-3-12-15)13-11(19)14-9(16)6-20-7-10(17)18/h2-4,8H,5-7H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyIHIRQNVZVBNVLO-UHFFFAOYSA-N
XLogP-0.80
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-4-oxo-4-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 109374295
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
2-[2-(heptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61465594
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61460931
2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61478499
2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61470498
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477618
2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
CID 61328669
2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64702045
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid (CID 61460963) is 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid is CC(Cn1cccn1)NC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is IHIRQNVZVBNVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-8(5-15-4-2-3-12-15)13-11(19)14-9(16)6-20-7-10(17)18/h2-4,8H,5-7H2,1H3,(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 284.27 g/mol, XLogP of -0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 61460963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).