2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid

C12H20N4O4 — CID 79269689

IUPAC2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H20N4O4/c1-9(2)16-7-10(6-13-16)14-12(19)15(4-5-20-3)8-11(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyDVWPLWGVNQHOLL-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.03
Rot. Bonds7

About 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid

2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid (PubChem CID 79269689) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
PubChem CID79269689
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H20N4O4/c1-9(2)16-7-10(6-13-16)14-12(19)15(4-5-20-3)8-11(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyDVWPLWGVNQHOLL-UHFFFAOYSA-N
XLogP1.03
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272091
2-[tert-butyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79257269
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111578737
2-[4-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 63286943
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271811
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065792
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 107576404
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553
2-[2-methoxyethyl-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 120516233

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid (CID 79269689) is 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid?
The InChIKey is DVWPLWGVNQHOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-9(2)16-7-10(6-13-16)14-12(19)15(4-5-20-3)8-11(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid has a molecular weight of 284.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79269689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).