[(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C14H25NO6 — CID 122539145

IUPAC[(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CCOC1
InChIInChI=1S/C14H25NO6/c1-9(18-5)11(15-13(17)21-14(2,3)4)12(16)20-10-6-7-19-8-10/h9-11H,6-8H2,1-5H3,(H,15,17)/t9-,10+,11-/m0/s1
InChIKeyRBYJKHDQIMMYLH-AXFHLTTASA-N
MW303.36 g/mol
LogP1.25
Rot. Bonds5

About [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

[(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 122539145) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID122539145
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name[(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CCOC1
InChIInChI=1S/C14H25NO6/c1-9(18-5)11(15-13(17)21-14(2,3)4)12(16)20-10-6-7-19-8-10/h9-11H,6-8H2,1-5H3,(H,15,17)/t9-,10+,11-/m0/s1
InChIKeyRBYJKHDQIMMYLH-AXFHLTTASA-N
XLogP1.25
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 122539145) is [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CCOC1.
What is the InChIKey of [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is RBYJKHDQIMMYLH-AXFHLTTASA-N. The full InChI is InChI=1S/C14H25NO6/c1-9(18-5)11(15-13(17)21-14(2,3)4)12(16)20-10-6-7-19-8-10/h9-11H,6-8H2,1-5H3,(H,15,17)/t9-,10+,11-/m0/s1.
What are the key properties of [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
[(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 303.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] (2S,3S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 122539145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).