sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate

C18H35N2NaO4 — CID 46935744

IUPACsodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate
SMILESCCCCCCCCCCCC(=O)C(N)CN(CCO)CC(=O)[O-].[Na+]
InChIInChI=1S/C18H36N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-17(22)16(19)14-20(12-13-21)15-18(23)24;/h16,21H,2-15,19H2,1H3,(H,23,24);/q;+1/p-1
InChIKeyYAJXWSCPLBGUOO-UHFFFAOYSA-M
MW366.48 g/mol
LogP-2.15
Rot. Bonds17

About sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate

sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate (PubChem CID 46935744) has the molecular formula C18H35N2NaO4 and a molecular weight of 366.48 g/mol. Its IUPAC name is sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate
PubChem CID46935744
Molecular FormulaC18H35N2NaO4
Molecular Weight366.48 g/mol
Exact Mass366.25
IUPAC Namesodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate
SMILESCCCCCCCCCCCC(=O)C(N)CN(CCO)CC(=O)[O-].[Na+]
InChIInChI=1S/C18H36N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-17(22)16(19)14-20(12-13-21)15-18(23)24;/h16,21H,2-15,19H2,1H3,(H,23,24);/q;+1/p-1
InChIKeyYAJXWSCPLBGUOO-UHFFFAOYSA-M
XLogP-2.15
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trisodium;1,2-diaminooctadecan-3-one;triacetate
CID 173291245
sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate
CID 23668680
sodium 2-[2-hydroxyethyl-[2-(undecanoylamino)ethyl]amino]acetate
CID 141154076
sodium 3-amino-3-[dodecanoyl(2-hydroxyethyl)amino]propanoate
CID 158887853
2-amino-1-hydroxyoctadecan-3-one
CID 631
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
CID 56846070
2-[carboxylatomethyl(hexadecyl)amino]acetate
CID 59297428
sodium 2-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]acetate
CID 57356269
disodium bis(2-[dodecyl(propyl)amino]acetate)
CID 173116471
lithium 2-[di(tridecyl)amino]acetate
CID 101313614
lithium 2-[di(tetradecyl)amino]acetate
CID 101313618
lithium 2-(dioctadecylamino)acetate
CID 101313636

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate?
The IUPAC name of sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate (CID 46935744) is sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate?
The canonical SMILES for sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate is CCCCCCCCCCCC(=O)C(N)CN(CCO)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate?
The InChIKey is YAJXWSCPLBGUOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-17(22)16(19)14-20(12-13-21)15-18(23)24;/h16,21H,2-15,19H2,1H3,(H,23,24);/q;+1/p-1.
What are the key properties of sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate?
sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate has a molecular weight of 366.48 g/mol, XLogP of -2.15, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(2-amino-3-oxotetradecyl)-(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 46935744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).