2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid

C9H14N2O3 — CID 82398410

IUPAC2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
SMILESCc1noc(C)c1C(C(=O)O)N(C)C
InChIInChI=1S/C9H14N2O3/c1-5-7(6(2)14-10-5)8(9(12)13)11(3)4/h8H,1-4H3,(H,12,13)
InChIKeyLEDBYTPJTOUVSI-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.98
Rot. Bonds3

About 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid

2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid (PubChem CID 82398410) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
PubChem CID82398410
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
SMILESCc1noc(C)c1C(C(=O)O)N(C)C
InChIInChI=1S/C9H14N2O3/c1-5-7(6(2)14-10-5)8(9(12)13)11(3)4/h8H,1-4H3,(H,12,13)
InChIKeyLEDBYTPJTOUVSI-UHFFFAOYSA-N
XLogP0.98
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid (CID 82398410) is 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid is Cc1noc(C)c1C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid?
The InChIKey is LEDBYTPJTOUVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5-7(6(2)14-10-5)8(9(12)13)11(3)4/h8H,1-4H3,(H,12,13).
What are the key properties of 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid?
2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid has a molecular weight of 198.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid is sourced from PubChem (CID 82398410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).