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

C13H21N3O4 — CID 79242053

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCc1c(C)noc1C)C(=O)O
InChIInChI=1S/C13H21N3O4/c1-5-6-13(4,11(17)18)15-12(19)14-7-10-8(2)16-20-9(10)3/h5-7H2,1-4H3,(H,17,18)(H2,14,15,19)
InChIKeyWBQUMPKXRYQIGK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.73
Rot. Bonds6

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid (PubChem CID 79242053) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
PubChem CID79242053
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCc1c(C)noc1C)C(=O)O
InChIInChI=1S/C13H21N3O4/c1-5-6-13(4,11(17)18)15-12(19)14-7-10-8(2)16-20-9(10)3/h5-7H2,1-4H3,(H,17,18)(H2,14,15,19)
InChIKeyWBQUMPKXRYQIGK-UHFFFAOYSA-N
XLogP1.73
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 79242130
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 115991321
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241738
2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 61205187
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid
CID 93225906
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
2-[(4-bromophenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 61196456
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 79241741

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid (CID 79242053) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)NCc1c(C)noc1C)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid?
The InChIKey is WBQUMPKXRYQIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-5-6-13(4,11(17)18)15-12(19)14-7-10-8(2)16-20-9(10)3/h5-7H2,1-4H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 79242053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).