lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C10H18LiNO5 — CID 154577346

IUPAClithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)CCC(=O)[O-].[Li+]
InChIInChI=1S/C10H19NO5.Li/c1-10(2,3)16-9(15)11-7(6-12)4-5-8(13)14;/h7,12H,4-6H2,1-3H3,(H,11,15)(H,13,14);/q;+1/p-1/t7-;/m1./s1
InChIKeyZGVFNKHYINRQJE-OGFXRTJISA-M
MW239.20 g/mol
LogP-3.59
Rot. Bonds5

About lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 154577346) has the molecular formula C10H18LiNO5 and a molecular weight of 239.20 g/mol. Its IUPAC name is lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namelithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID154577346
Molecular FormulaC10H18LiNO5
Molecular Weight239.20 g/mol
Exact Mass239.13
IUPAC Namelithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)CCC(=O)[O-].[Li+]
InChIInChI=1S/C10H19NO5.Li/c1-10(2,3)16-9(15)11-7(6-12)4-5-8(13)14;/h7,12H,4-6H2,1-3H3,(H,11,15)(H,13,14);/q;+1/p-1/t7-;/m1./s1
InChIKeyZGVFNKHYINRQJE-OGFXRTJISA-M
XLogP-3.59
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-3.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 154577346) is lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(C)(C)OC(=O)N[C@@H](CO)CCC(=O)[O-].[Li+].
What is the InChIKey of lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is ZGVFNKHYINRQJE-OGFXRTJISA-M. The full InChI is InChI=1S/C10H19NO5.Li/c1-10(2,3)16-9(15)11-7(6-12)4-5-8(13)14;/h7,12H,4-6H2,1-3H3,(H,11,15)(H,13,14);/q;+1/p-1/t7-;/m1./s1.
What are the key properties of lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 239.20 g/mol, XLogP of -3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 154577346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).