2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid

C11H18N4O3 — CID 54900293

IUPAC2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H18N4O3/c1-4-15(6-10(17)18)5-9(16)12-11-7(2)13-14-8(11)3/h4-6H2,1-3H3,(H,12,16)(H,13,14)(H,17,18)
InChIKeyASKSSFWENPNOEG-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.37
Rot. Bonds6

About 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid

2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid (PubChem CID 54900293) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
PubChem CID54900293
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H18N4O3/c1-4-15(6-10(17)18)5-9(16)12-11-7(2)13-14-8(11)3/h4-6H2,1-3H3,(H,12,16)(H,13,14)(H,17,18)
InChIKeyASKSSFWENPNOEG-UHFFFAOYSA-N
XLogP0.37
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277200
methyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-propylamino]acetate
CID 62013494
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1,1-diethylurea
CID 78951288
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl-ethylamino]propanoic acid
CID 61202435
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683878
5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
CID 107908306
2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012552
methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011673
2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79810358
3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238065
methyl 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]butanoate
CID 62012696

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid (CID 54900293) is 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid is CCN(CC(=O)O)CC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The InChIKey is ASKSSFWENPNOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-15(6-10(17)18)5-9(16)12-11-7(2)13-14-8(11)3/h4-6H2,1-3H3,(H,12,16)(H,13,14)(H,17,18).
What are the key properties of 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid?
2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid is sourced from PubChem (CID 54900293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).