2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid

C11H17N3O4 — CID 81178150

IUPAC2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCc1ccon1
InChIInChI=1S/C11H17N3O4/c1-3-8(2)14(7-10(15)16)11(17)12-6-9-4-5-18-13-9/h4-5,8H,3,6-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyZTHFHQIJAKDRMB-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.07
Rot. Bonds6

About 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid

2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 81178150) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid
PubChem CID81178150
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCc1ccon1
InChIInChI=1S/C11H17N3O4/c1-3-8(2)14(7-10(15)16)11(17)12-6-9-4-5-18-13-9/h4-5,8H,3,6-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyZTHFHQIJAKDRMB-UHFFFAOYSA-N
XLogP1.07
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid (CID 81178150) is 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCc1ccon1.
What is the InChIKey of 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is ZTHFHQIJAKDRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-8(2)14(7-10(15)16)11(17)12-6-9-4-5-18-13-9/h4-5,8H,3,6-7H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid?
2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(1,2-oxazol-3-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 81178150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).