lithium 4-acetamidobutanoate

C6H10LiNO3 — CID 23665991

IUPAClithium 4-acetamidobutanoate
SMILESCC(=O)NCCCC(=O)[O-].[Li+]
InChIInChI=1S/C6H11NO3.Li/c1-5(8)7-4-2-3-6(9)10;/h2-4H2,1H3,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyFTMPCGKUYIKUNF-UHFFFAOYSA-M
MW151.09 g/mol
LogP-4.34
Rot. Bonds4

About lithium 4-acetamidobutanoate

lithium 4-acetamidobutanoate (PubChem CID 23665991) has the molecular formula C6H10LiNO3 and a molecular weight of 151.09 g/mol. Its IUPAC name is lithium 4-acetamidobutanoate.

Molecular Properties

Compound Namelithium 4-acetamidobutanoate
PubChem CID23665991
Molecular FormulaC6H10LiNO3
Molecular Weight151.09 g/mol
Exact Mass151.08
IUPAC Namelithium 4-acetamidobutanoate
SMILESCC(=O)NCCCC(=O)[O-].[Li+]
InChIInChI=1S/C6H11NO3.Li/c1-5(8)7-4-2-3-6(9)10;/h2-4H2,1H3,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyFTMPCGKUYIKUNF-UHFFFAOYSA-M
XLogP-4.34
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 5-4.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)acetamide
CID 5147555
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-(8-oxononyl)acetamide
CID 58114719
lithium;6-(methylcarbamoylamino)hexanoate;phosphanide
CID 59895303
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
4-acetamidobutane-1-sulfonate
CID 21045154
calcium 3-acetamidopropane-1-sulfonate
CID 21123437
CID 59075972
CID 59075972
lithium;hexanedioate;hydron
CID 87066964
N-(5-iodo-4-oxohexyl)acetamide
CID 171526467

Frequently Asked Questions

What is the IUPAC name of lithium 4-acetamidobutanoate?
The IUPAC name of lithium 4-acetamidobutanoate (CID 23665991) is lithium 4-acetamidobutanoate.
What is the SMILES notation for lithium 4-acetamidobutanoate?
The canonical SMILES for lithium 4-acetamidobutanoate is CC(=O)NCCCC(=O)[O-].[Li+].
What is the InChIKey of lithium 4-acetamidobutanoate?
The InChIKey is FTMPCGKUYIKUNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO3.Li/c1-5(8)7-4-2-3-6(9)10;/h2-4H2,1H3,(H,7,8)(H,9,10);/q;+1/p-1.
What are the key properties of lithium 4-acetamidobutanoate?
lithium 4-acetamidobutanoate has a molecular weight of 151.09 g/mol, XLogP of -4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-acetamidobutanoate is sourced from PubChem (CID 23665991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).