CID 86589108

C3H7LiNO2 — CID 86589108

IUPAC—
SMILESC[C@H](N)C(=O)O.[Li]
InChIInChI=1S/C3H7NO2.Li/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);/t2-;/m0./s1
InChIKeyAMCQNKCAZWQKPW-DKWTVANSSA-N
MW96.03 g/mol
LogP-0.96
Rot. Bonds1

About CID 86589108

CID 86589108 (PubChem CID 86589108) has the molecular formula C3H7LiNO2 and a molecular weight of 96.03 g/mol.

Molecular Properties

Compound NameCID 86589108
PubChem CID86589108
Molecular FormulaC3H7LiNO2
Molecular Weight96.03 g/mol
Exact Mass96.06
IUPAC Name—
SMILESC[C@H](N)C(=O)O.[Li]
InChIInChI=1S/C3H7NO2.Li/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);/t2-;/m0./s1
InChIKeyAMCQNKCAZWQKPW-DKWTVANSSA-N
XLogP-0.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.03
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 86589108?
The IUPAC name of CID 86589108 (CID 86589108) is not available.
What is the SMILES notation for CID 86589108?
The canonical SMILES for CID 86589108 is C[C@H](N)C(=O)O.[Li].
What is the InChIKey of CID 86589108?
The InChIKey is AMCQNKCAZWQKPW-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO2.Li/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);/t2-;/m0./s1.
What are the key properties of CID 86589108?
CID 86589108 has a molecular weight of 96.03 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86589108 is sourced from PubChem (CID 86589108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).