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

C15H24N2O4 — CID 119212226

IUPAC3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
SMILESCCC(CC)c1cc(C(=O)NC(C(=O)O)C(C)CC)on1
InChIInChI=1S/C15H24N2O4/c1-5-9(4)13(15(19)20)16-14(18)12-8-11(17-21-12)10(6-2)7-3/h8-10,13H,5-7H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyVOAUVBUVKDYTKE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.81
Rot. Bonds8

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

3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid (PubChem CID 119212226) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
PubChem CID119212226
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
SMILESCCC(CC)c1cc(C(=O)NC(C(=O)O)C(C)CC)on1
InChIInChI=1S/C15H24N2O4/c1-5-9(4)13(15(19)20)16-14(18)12-8-11(17-21-12)10(6-2)7-3/h8-10,13H,5-7H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyVOAUVBUVKDYTKE-UHFFFAOYSA-N
XLogP2.81
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119589284
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737
(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119597712
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 61174671
(2S)-3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 61172054
(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid
CID 120614689
3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide
CID 86794715
2-[(3,5-dibromobenzoyl)amino]-3-methylpentanoic acid
CID 114022455

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid (CID 119212226) is 3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid is CCC(CC)c1cc(C(=O)NC(C(=O)O)C(C)CC)on1.
What is the InChIKey of 3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is VOAUVBUVKDYTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-9(4)13(15(19)20)16-14(18)12-8-11(17-21-12)10(6-2)7-3/h8-10,13H,5-7H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119212226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).