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

C14H22N2O4 — CID 119199841

IUPAC2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCCC(CC)c1cc(C(=O)NC(C)(CC)C(=O)O)on1
InChIInChI=1S/C14H22N2O4/c1-5-9(6-2)10-8-11(20-16-10)12(17)15-14(4,7-3)13(18)19/h8-9H,5-7H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyUJRYGAJLAXZQPV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.56
Rot. Bonds7

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

2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 119199841) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID119199841
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCCC(CC)c1cc(C(=O)NC(C)(CC)C(=O)O)on1
InChIInChI=1S/C14H22N2O4/c1-5-9(6-2)10-8-11(20-16-10)12(17)15-14(4,7-3)13(18)19/h8-9H,5-7H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyUJRYGAJLAXZQPV-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119250422
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119605837
N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119597712
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
4-[[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 119165631
3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119212226
2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 119198963
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119429935
3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
CID 110002337
3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide
CID 86794715
2-[4-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215799
N-[(1-hydroxycyclobutyl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111539650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 119199841) is 2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid is CCC(CC)c1cc(C(=O)NC(C)(CC)C(=O)O)on1.
What is the InChIKey of 2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is UJRYGAJLAXZQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-9(6-2)10-8-11(20-16-10)12(17)15-14(4,7-3)13(18)19/h8-9H,5-7H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119199841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).