3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid

C11H16N2O4 — CID 110835489

IUPAC3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1ncoc1C(=O)N(C)C(C(=O)O)C(C)C
InChIInChI=1S/C11H16N2O4/c1-6(2)8(11(15)16)13(4)10(14)9-7(3)12-5-17-9/h5-6,8H,1-4H3,(H,15,16)
InChIKeyVFTGEMYVICJCOL-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.16
Rot. Bonds4

About 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid

3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 110835489) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID110835489
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1ncoc1C(=O)N(C)C(C(=O)O)C(C)C
InChIInChI=1S/C11H16N2O4/c1-6(2)8(11(15)16)13(4)10(14)9-7(3)12-5-17-9/h5-6,8H,1-4H3,(H,15,16)
InChIKeyVFTGEMYVICJCOL-UHFFFAOYSA-N
XLogP1.16
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110197502
(3R)-3,4,4-trimethyl-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-pyrrolidinol
CID 72864668
[(2R)-3-carboxy-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 68743438
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81621099
2-[(4-Methyl-1,3-oxazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81621390
1-(4-Methyl-1,3-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81622440
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazole-5-carboxamide
CID 103915428
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107482514
3-Fluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259700
(3S,4S)-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951704
3-[[4-(Difluoromethyl)-1,3-oxazole-5-carbonyl]-methylamino]propanoic acid
CID 146136974
1-(Cyclopropylmethyl)-2-isopropyl-4-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-1,4-diazepane
CID 56880180

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid (CID 110835489) is 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid is Cc1ncoc1C(=O)N(C)C(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is VFTGEMYVICJCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6(2)8(11(15)16)13(4)10(14)9-7(3)12-5-17-9/h5-6,8H,1-4H3,(H,15,16).
What are the key properties of 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110835489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).