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

C11H18N4O4 — CID 79272091

IUPAC2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCCn1cc(NC(=O)N(CCOC)CC(=O)O)cn1
InChIInChI=1S/C11H18N4O4/c1-3-15-7-9(6-12-15)13-11(18)14(4-5-19-2)8-10(16)17/h6-7H,3-5,8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyANRJPHIFBWBRCM-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.47
Rot. Bonds7

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

2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 79272091) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID79272091
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCCn1cc(NC(=O)N(CCOC)CC(=O)O)cn1
InChIInChI=1S/C11H18N4O4/c1-3-15-7-9(6-12-15)13-11(18)14(4-5-19-2)8-10(16)17/h6-7H,3-5,8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyANRJPHIFBWBRCM-UHFFFAOYSA-N
XLogP0.47
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79269689
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065792
2-[4-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 63286943
3-[tert-butyl-[(1-ethylpyrazol-4-yl)carbamoyl]amino]propanoic acid
CID 61209703
1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea
CID 47200418
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
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-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61447696
4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid
CID 103158622
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid (CID 79272091) is 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid is CCn1cc(NC(=O)N(CCOC)CC(=O)O)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is ANRJPHIFBWBRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-3-15-7-9(6-12-15)13-11(18)14(4-5-19-2)8-10(16)17/h6-7H,3-5,8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79272091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).