2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid

C14H22N2O4 — CID 119250422

IUPAC2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCCC(CC)c1cc(C(=O)NCC(C)(C)C(=O)O)on1
InChIInChI=1S/C14H22N2O4/c1-5-9(6-2)10-7-11(20-16-10)12(17)15-8-14(3,4)13(18)19/h7,9H,5-6,8H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyJITPJISFELKQRR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.42
Rot. Bonds7

About 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 119250422) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID119250422
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCCC(CC)c1cc(C(=O)NCC(C)(C)C(=O)O)on1
InChIInChI=1S/C14H22N2O4/c1-5-9(6-2)10-7-11(20-16-10)12(17)15-8-14(3,4)13(18)19/h7,9H,5-6,8H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyJITPJISFELKQRR-UHFFFAOYSA-N
XLogP2.42
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 119250422) is 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is CCC(CC)c1cc(C(=O)NCC(C)(C)C(=O)O)on1.
What is the InChIKey of 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is JITPJISFELKQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-9(6-2)10-7-11(20-16-10)12(17)15-8-14(3,4)13(18)19/h7,9H,5-6,8H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119250422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).