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

C11H16N2O4 — CID 93054926

IUPAC(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)no1
InChIInChI=1S/C11H16N2O4/c1-6-5-7(13-17-6)9(14)12-8(10(15)16)11(2,3)4/h5,8H,1-4H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyPRTNBMNAAACGNO-QMMMGPOBSA-N
MW240.26 g/mol
LogP1.21
Rot. Bonds3

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

(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 93054926) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID93054926
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)no1
InChIInChI=1S/C11H16N2O4/c1-6-5-7(13-17-6)9(14)12-8(10(15)16)11(2,3)4/h5,8H,1-4H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyPRTNBMNAAACGNO-QMMMGPOBSA-N
XLogP1.21
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 43467740
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 171733325
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353004
4,4,4-trifluoro-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 138057763
(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 162739246
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66126250
(2S)-2-[(3,5-dimethylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144757

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 93054926) is (2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is Cc1cc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)no1.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is PRTNBMNAAACGNO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-5-7(13-17-6)9(14)12-8(10(15)16)11(2,3)4/h5,8H,1-4H3,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 93054926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).