2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid

C12H20N4O4 — CID 79272272

IUPAC2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(C)Cn1cccn1
InChIInChI=1S/C12H20N4O4/c1-10(8-16-5-3-4-13-16)14-12(19)15(6-7-20-2)9-11(17)18/h3-5,10H,6-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKSZCIIJUJLOPNK-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.01
Rot. Bonds8

About 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid

2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 79272272) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
PubChem CID79272272
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(C)Cn1cccn1
InChIInChI=1S/C12H20N4O4/c1-10(8-16-5-3-4-13-16)14-12(19)15(6-7-20-2)9-11(17)18/h3-5,10H,6-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyKSZCIIJUJLOPNK-UHFFFAOYSA-N
XLogP0.01
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79271343
1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
CID 126453238
2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94178029
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821496
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272091
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
N-(2-methoxyethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 61487655
2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
CID 79270902

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid (CID 79272272) is 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NC(C)Cn1cccn1.
What is the InChIKey of 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is KSZCIIJUJLOPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-10(8-16-5-3-4-13-16)14-12(19)15(6-7-20-2)9-11(17)18/h3-5,10H,6-9H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid?
2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 284.32 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79272272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).