3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid

C12H19N3O4 — CID 55123061

IUPAC3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1cc(C)no1)CC(C)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-4-15(6-8(2)12(17)18)7-10(16)13-11-5-9(3)14-19-11/h5,8H,4,6-7H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyYWEXZYFYVKRYER-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.96
Rot. Bonds7

About 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid

3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 55123061) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID55123061
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1cc(C)no1)CC(C)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-4-15(6-8(2)12(17)18)7-10(16)13-11-5-9(3)14-19-11/h5,8H,4,6-7H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyYWEXZYFYVKRYER-UHFFFAOYSA-N
XLogP0.96
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 51108186
2-[ethyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 37097840
methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 94799712
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 62115298
3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid
CID 61009524
3-[ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55122915
3-[[2-(2-chloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852075
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51171141
3-[[2-(4-cyanoanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852803

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid (CID 55123061) is 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid is CCN(CC(=O)Nc1cc(C)no1)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is YWEXZYFYVKRYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-15(6-8(2)12(17)18)7-10(16)13-11-5-9(3)14-19-11/h5,8H,4,6-7H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid?
3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).