(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid

C13H20N2O4 — CID 78975585

IUPAC(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCc1noc(C)c1CC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-7(2)5-11(13(17)18)14-12(16)6-10-8(3)15-19-9(10)4/h7,11H,5-6H2,1-4H3,(H,14,16)(H,17,18)/t11-/m1/s1
InChIKeyBBKYDZPEEFNRHU-LLVKDONJSA-N
MW268.31 g/mol
LogP1.45
Rot. Bonds6

About (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 78975585) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
PubChem CID78975585
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCc1noc(C)c1CC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-7(2)5-11(13(17)18)14-12(16)6-10-8(3)15-19-9(10)4/h7,11H,5-6H2,1-4H3,(H,14,16)(H,17,18)/t11-/m1/s1
InChIKeyBBKYDZPEEFNRHU-LLVKDONJSA-N
XLogP1.45
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid
CID 78975515
(2R)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 78975778
(2S)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 61136408
(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid
CID 61145159
2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-pyridin-4-ylpropanoic acid
CID 146135264
(2S,3S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 61136424
4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbutanoic acid
CID 80539351
(2R)-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
CID 78975678
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103751044
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
(2R)-4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 78975366
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,4-dimethylpentanamide
CID 43750713

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid (CID 78975585) is (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid is Cc1noc(C)c1CC(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is BBKYDZPEEFNRHU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-7(2)5-11(13(17)18)14-12(16)6-10-8(3)15-19-9(10)4/h7,11H,5-6H2,1-4H3,(H,14,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78975585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).