2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid

C10H15N3O4 — CID 79242440

IUPAC2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
SMILESCc1noc(C)c1C(C)NC(=O)NCC(=O)O
InChIInChI=1S/C10H15N3O4/c1-5(9-6(2)13-17-7(9)3)12-10(16)11-4-8(14)15/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeyCPYZZQOOAVHEIO-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.74
Rot. Bonds4

About 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid

2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid (PubChem CID 79242440) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
PubChem CID79242440
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
SMILESCc1noc(C)c1C(C)NC(=O)NCC(=O)O
InChIInChI=1S/C10H15N3O4/c1-5(9-6(2)13-17-7(9)3)12-10(16)11-4-8(14)15/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeyCPYZZQOOAVHEIO-UHFFFAOYSA-N
XLogP0.74
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid (CID 79242440) is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid is Cc1noc(C)c1C(C)NC(=O)NCC(=O)O.
What is the InChIKey of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid?
The InChIKey is CPYZZQOOAVHEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-5(9-6(2)13-17-7(9)3)12-10(16)11-4-8(14)15/h5H,4H2,1-3H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid?
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid has a molecular weight of 241.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 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)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 79242440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).