lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate

C10H14LiNO — CID 102008925

IUPAClithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate
SMILESCN[C@H](C)[C@@H]([O-])c1ccccc1.[Li+]
InChIInChI=1S/C10H14NO.Li/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-11H,1-2H3;/q-1;+1/t8-,10-;/m1./s1
InChIKeyZESVOWDCGWTRLL-GHXDPTCOSA-N
MW171.17 g/mol
LogP-2.30
Rot. Bonds3

About lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate

lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate (PubChem CID 102008925) has the molecular formula C10H14LiNO and a molecular weight of 171.17 g/mol. Its IUPAC name is lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate.

Molecular Properties

Compound Namelithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate
PubChem CID102008925
Molecular FormulaC10H14LiNO
Molecular Weight171.17 g/mol
Exact Mass171.12
IUPAC Namelithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate
SMILESCN[C@H](C)[C@@H]([O-])c1ccccc1.[Li+]
InChIInChI=1S/C10H14NO.Li/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-11H,1-2H3;/q-1;+1/t8-,10-;/m1./s1
InChIKeyZESVOWDCGWTRLL-GHXDPTCOSA-N
XLogP-2.30
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 5-2.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate?
The IUPAC name of lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate (CID 102008925) is lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate.
What is the SMILES notation for lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate?
The canonical SMILES for lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate is CN[C@H](C)[C@@H]([O-])c1ccccc1.[Li+].
What is the InChIKey of lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate?
The InChIKey is ZESVOWDCGWTRLL-GHXDPTCOSA-N. The full InChI is InChI=1S/C10H14NO.Li/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-11H,1-2H3;/q-1;+1/t8-,10-;/m1./s1.
What are the key properties of lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate?
lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate has a molecular weight of 171.17 g/mol, XLogP of -2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate is sourced from PubChem (CID 102008925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).