2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid

C13H21N3O4 — CID 79241574

IUPAC2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCc1noc(C)c1C(C)NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H21N3O4/c1-7(10-8(2)15-20-9(10)3)14-12(19)16(6)13(4,5)11(17)18/h7H,1-6H3,(H,14,19)(H,17,18)
InChIKeyGSVDWRNUGLXAJG-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid

2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 79241574) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID79241574
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCc1noc(C)c1C(C)NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H21N3O4/c1-7(10-8(2)15-20-9(10)3)14-12(19)16(6)13(4,5)11(17)18/h7H,1-6H3,(H,14,19)(H,17,18)
InChIKeyGSVDWRNUGLXAJG-UHFFFAOYSA-N
XLogP1.86
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537298
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241738
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62822382
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 79242240
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390007
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79236899

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 79241574) is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid is Cc1noc(C)c1C(C)NC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is GSVDWRNUGLXAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-7(10-8(2)15-20-9(10)3)14-12(19)16(6)13(4,5)11(17)18/h7H,1-6H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid?
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79241574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).