lithium;6-(methylcarbamoylamino)hexanoate;phosphanide

C8H17LiN2O3P- — CID 59895303

IUPAClithium;6-(methylcarbamoylamino)hexanoate;phosphanide
SMILESCNC(=O)NCCCCCC(=O)[O-].[Li+].[PH2-]
InChIInChI=1S/C8H16N2O3.Li.H2P/c1-9-8(13)10-6-4-2-3-5-7(11)12;;/h2-6H2,1H3,(H,11,12)(H2,9,10,13);;1H2/q;+1;-1/p-1
InChIKeyYUOCWCMLZKHNFB-UHFFFAOYSA-M
MW227.15 g/mol
LogP-3.44
Rot. Bonds6

About lithium;6-(methylcarbamoylamino)hexanoate;phosphanide

lithium;6-(methylcarbamoylamino)hexanoate;phosphanide (PubChem CID 59895303) has the molecular formula C8H17LiN2O3P- and a molecular weight of 227.15 g/mol. Its IUPAC name is lithium;6-(methylcarbamoylamino)hexanoate;phosphanide.

Molecular Properties

Compound Namelithium;6-(methylcarbamoylamino)hexanoate;phosphanide
PubChem CID59895303
Molecular FormulaC8H17LiN2O3P-
Molecular Weight227.15 g/mol
Exact Mass227.11
IUPAC Namelithium;6-(methylcarbamoylamino)hexanoate;phosphanide
SMILESCNC(=O)NCCCCCC(=O)[O-].[Li+].[PH2-]
InChIInChI=1S/C8H16N2O3.Li.H2P/c1-9-8(13)10-6-4-2-3-5-7(11)12;;/h2-6H2,1H3,(H,11,12)(H2,9,10,13);;1H2/q;+1;-1/p-1
InChIKeyYUOCWCMLZKHNFB-UHFFFAOYSA-M
XLogP-3.44
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 5-3.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(7-oxononyl)urea
CID 158424786
1-methyl-3-nonylurea
CID 91937244
1-[8-(carbamoylamino)octyl]-3-methylurea
CID 129172713
1-methyl-3-(7-methyloctyl)urea
CID 71899901
6-(methylcarbamoylamino)hexane-1-sulfinate
CID 148533155
lithium 4-acetamidobutanoate
CID 23665991
tridecanedioate
CID 6994474
sodium 6-[(2-chloroacetyl)amino]hexanoate
CID 159036987
9-[[amino(dimethylazaniumylidene)methyl]amino]nonanoate
CID 172844497
8-[[amino(dimethylazaniumylidene)methyl]amino]octanoate
CID 172836176
CID 59151849
CID 59151849
1-butyl-3-methylurea;hydrochloride
CID 20501295

Frequently Asked Questions

What is the IUPAC name of lithium;6-(methylcarbamoylamino)hexanoate;phosphanide?
The IUPAC name of lithium;6-(methylcarbamoylamino)hexanoate;phosphanide (CID 59895303) is lithium;6-(methylcarbamoylamino)hexanoate;phosphanide.
What is the SMILES notation for lithium;6-(methylcarbamoylamino)hexanoate;phosphanide?
The canonical SMILES for lithium;6-(methylcarbamoylamino)hexanoate;phosphanide is CNC(=O)NCCCCCC(=O)[O-].[Li+].[PH2-].
What is the InChIKey of lithium;6-(methylcarbamoylamino)hexanoate;phosphanide?
The InChIKey is YUOCWCMLZKHNFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N2O3.Li.H2P/c1-9-8(13)10-6-4-2-3-5-7(11)12;;/h2-6H2,1H3,(H,11,12)(H2,9,10,13);;1H2/q;+1;-1/p-1.
What are the key properties of lithium;6-(methylcarbamoylamino)hexanoate;phosphanide?
lithium;6-(methylcarbamoylamino)hexanoate;phosphanide has a molecular weight of 227.15 g/mol, XLogP of -3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;6-(methylcarbamoylamino)hexanoate;phosphanide is sourced from PubChem (CID 59895303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).