diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

C14H25NO6 — CID 14420345

IUPACdiethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
SMILESCCOC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H25NO6/c1-6-19-11(16)9-8-10(12(17)20-7-2)15-13(18)21-14(3,4)5/h10H,6-9H2,1-5H3,(H,15,18)/t10-/m1/s1
InChIKeyDWSHOWFVTUDCCM-SNVBAGLBSA-N
MW303.36 g/mol
LogP1.79
Rot. Bonds7

About diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate (PubChem CID 14420345) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate.

Molecular Properties

Compound Namediethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
PubChem CID14420345
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Namediethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
SMILESCCOC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H25NO6/c1-6-19-11(16)9-8-10(12(17)20-7-2)15-13(18)21-14(3,4)5/h10H,6-9H2,1-5H3,(H,15,18)/t10-/m1/s1
InChIKeyDWSHOWFVTUDCCM-SNVBAGLBSA-N
XLogP1.79
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate?
The IUPAC name of diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate (CID 14420345) is diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate.
What is the SMILES notation for diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate?
The canonical SMILES for diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate is CCOC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate?
The InChIKey is DWSHOWFVTUDCCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25NO6/c1-6-19-11(16)9-8-10(12(17)20-7-2)15-13(18)21-14(3,4)5/h10H,6-9H2,1-5H3,(H,15,18)/t10-/m1/s1.
What are the key properties of diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate?
diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate has a molecular weight of 303.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate is sourced from PubChem (CID 14420345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).