lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate

C15H29LiN2O4 — CID 101286103

IUPAClithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate
SMILESCCCCCCC/C([O-])=N/CCN(CCCO)CC(=O)O.[Li+]
InChIInChI=1S/C15H30N2O4.Li/c1-2-3-4-5-6-8-14(19)16-9-11-17(10-7-12-18)13-15(20)21;/h18H,2-13H2,1H3,(H,16,19)(H,20,21);/q;+1/p-1
InChIKeyALYALCCUNZLMFC-UHFFFAOYSA-M
MW308.35 g/mol
LogP-2.12
Rot. Bonds14

About lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate

lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate (PubChem CID 101286103) has the molecular formula C15H29LiN2O4 and a molecular weight of 308.35 g/mol. Its IUPAC name is lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate.

Molecular Properties

Compound Namelithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate
PubChem CID101286103
Molecular FormulaC15H29LiN2O4
Molecular Weight308.35 g/mol
Exact Mass308.23
IUPAC Namelithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate
SMILESCCCCCCC/C([O-])=N/CCN(CCCO)CC(=O)O.[Li+]
InChIInChI=1S/C15H30N2O4.Li/c1-2-3-4-5-6-8-14(19)16-9-11-17(10-7-12-18)13-15(20)21;/h18H,2-13H2,1H3,(H,16,19)(H,20,21);/q;+1/p-1
InChIKeyALYALCCUNZLMFC-UHFFFAOYSA-M
XLogP-2.12
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

potassium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate
CID 101286098
sodium N-[2-[2-carboxyethyl(4-hydroxybutyl)amino]ethyl]octanimidate
CID 101286143
potassium (E)-N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]oct-4-enimidate
CID 101286458
lithium N-[2-[2-carboxyethyl(2-hydroxypropyl)amino]ethyl]octanimidate
CID 101286122
2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid
CID 58572256
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[bis[2-[carboxymethyl-(2-oxido-2-pentyliminoethyl)amino]ethyl]amino]acetate
CID 102397063
sodium N-[[carboxymethyl(3-hydroxypropyl)amino]methyl]oct-7-enimidate
CID 101286181
potassium (E)-N-[[carboxymethyl(3-hydroxypropyl)amino]methyl]oct-6-enimidate
CID 101286166
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372

Frequently Asked Questions

What is the IUPAC name of lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate?
The IUPAC name of lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate (CID 101286103) is lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate.
What is the SMILES notation for lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate?
The canonical SMILES for lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate is CCCCCCC/C([O-])=N/CCN(CCCO)CC(=O)O.[Li+].
What is the InChIKey of lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate?
The InChIKey is ALYALCCUNZLMFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H30N2O4.Li/c1-2-3-4-5-6-8-14(19)16-9-11-17(10-7-12-18)13-15(20)21;/h18H,2-13H2,1H3,(H,16,19)(H,20,21);/q;+1/p-1.
What are the key properties of lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate?
lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate has a molecular weight of 308.35 g/mol, XLogP of -2.12, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-[2-[carboxymethyl(3-hydroxypropyl)amino]ethyl]octanimidate is sourced from PubChem (CID 101286103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).