2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid

C12H18N2O4 — CID 60831703

IUPAC2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
SMILESCCc1noc(C)c1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C12H18N2O4/c1-5-9-11(8(4)18-13-9)12(17)14(7(2)3)6-10(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyADUFNJZGVLMWDG-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.48
Rot. Bonds5

About 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid

2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 60831703) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID60831703
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
SMILESCCc1noc(C)c1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C12H18N2O4/c1-5-9-11(8(4)18-13-9)12(17)14(7(2)3)6-10(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyADUFNJZGVLMWDG-UHFFFAOYSA-N
XLogP1.48
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid (CID 60831703) is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid is CCc1noc(C)c1C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is ADUFNJZGVLMWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-5-9-11(8(4)18-13-9)12(17)14(7(2)3)6-10(15)16/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid?
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60831703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).