tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate

C12H18N2O4 — CID 81004390

IUPACtert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
SMILESCc1cc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H18N2O4/c1-7-6-9(14-18-7)10(15)13-8(2)11(16)17-12(3,4)5/h6,8H,1-5H3,(H,13,15)/t8-/m1/s1
InChIKeyBRYXIMBVRHSDDU-MRVPVSSYSA-N
MW254.29 g/mol
LogP1.44
Rot. Bonds3

About tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate

tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate (PubChem CID 81004390) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
PubChem CID81004390
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nametert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
SMILESCc1cc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)no1
InChIInChI=1S/C12H18N2O4/c1-7-6-9(14-18-7)10(15)13-8(2)11(16)17-12(3,4)5/h6,8H,1-5H3,(H,13,15)/t8-/m1/s1
InChIKeyBRYXIMBVRHSDDU-MRVPVSSYSA-N
XLogP1.44
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 93054926
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 103881073
tert-butyl (2S)-2-[(6-chloropyrazine-2-carbonyl)amino]propanoate
CID 106551571
tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate
CID 81003471
tert-butyl (2S)-2-[(2,6-dimethylbenzoyl)amino]propanoate
CID 103822375
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate
CID 103774608

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate (CID 81004390) is tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate is Cc1cc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate?
The InChIKey is BRYXIMBVRHSDDU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7-6-9(14-18-7)10(15)13-8(2)11(16)17-12(3,4)5/h6,8H,1-5H3,(H,13,15)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate?
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate has a molecular weight of 254.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 81004390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).