4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C13H22N2O5 — CID 91045649

IUPAC4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC1=NCCO1
InChIInChI=1S/C13H22N2O5/c1-8(2)9(15-11(17)20-13(3,4)5)10(16)19-12-14-6-7-18-12/h8-9H,6-7H2,1-5H3,(H,15,17)/t9-/m0/s1
InChIKeyQUDNUCXSRHTPAX-VIFPVBQESA-N
MW286.33 g/mol
LogP1.47
Rot. Bonds3

About 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 91045649) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID91045649
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC1=NCCO1
InChIInChI=1S/C13H22N2O5/c1-8(2)9(15-11(17)20-13(3,4)5)10(16)19-12-14-6-7-18-12/h8-9H,6-7H2,1-5H3,(H,15,17)/t9-/m0/s1
InChIKeyQUDNUCXSRHTPAX-VIFPVBQESA-N
XLogP1.47
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate with MolForge

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Related Compounds

tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
CID 150711020
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
chloromethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 18629485
tert-butyl N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 110677956
methylsulfanylmethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 132534782
tert-butyl (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-methylbutanoate
CID 146161325
tri(propan-2-yl)silyloxymethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 71472771
potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23672899
tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 74082031
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
tert-butyl (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 91045649) is 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC1=NCCO1.
What is the InChIKey of 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is QUDNUCXSRHTPAX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8(2)9(15-11(17)20-13(3,4)5)10(16)19-12-14-6-7-18-12/h8-9H,6-7H2,1-5H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 286.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 91045649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).