[(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium

C17H35NO4P+ — CID 173034570

IUPAC[(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium
SMILESCCCCCCCCCCCCCCN([PH+]=O)C(CO)C(=O)O
InChIInChI=1S/C17H34NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(23-22)16(15-19)17(20)21/h16,19H,2-15H2,1H3,(H,20,21)/p+1
InChIKeyBPMLGWUKPCORIF-UHFFFAOYSA-O
MW348.44 g/mol
LogP4.37
Rot. Bonds17

About [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium

[(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium (PubChem CID 173034570) has the molecular formula C17H35NO4P+ and a molecular weight of 348.44 g/mol. Its IUPAC name is [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium.

Molecular Properties

Compound Name[(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium
PubChem CID173034570
Molecular FormulaC17H35NO4P+
Molecular Weight348.44 g/mol
Exact Mass348.23
IUPAC Name[(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium
SMILESCCCCCCCCCCCCCCN([PH+]=O)C(CO)C(=O)O
InChIInChI=1S/C17H34NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(23-22)16(15-19)17(20)21/h16,19H,2-15H2,1H3,(H,20,21)/p+1
InChIKeyBPMLGWUKPCORIF-UHFFFAOYSA-O
XLogP4.37
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.37
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

2-(dihexylamino)-3-hydroxypropanoic acid
CID 175360727
(2S)-2-[dodecyl(propyl)amino]-4-hydroxybutanoic acid
CID 158745889
(2S)-2-[(hexadecanoylamino)-tetradecylamino]-3-hydroxypropanoic acid
CID 87135234
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-(didecylamino)pentanoic acid
CID 101314079
hexadecylphosphonic acid;(2S)-2-[hexadecyl(phosphono)amino]-3-hydroxypropanoic acid
CID 88504378
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
3-hydroxy-2-[octadec-9-enoyl(phosphanyl)amino]propanoic acid
CID 173463659
3-hydroxy-2-[[(Z)-octadec-9-enoyl]-phosphanylamino]propanoic acid
CID 175483841
2-[di(undecyl)amino]propanoic acid
CID 101313686
2-(dimethylamino)tetracosanoic acid
CID 19101458
(2S)-2-(didecylamino)propanoic acid
CID 54553800

Frequently Asked Questions

What is the IUPAC name of [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium?
The IUPAC name of [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium (CID 173034570) is [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium.
What is the SMILES notation for [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium?
The canonical SMILES for [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium is CCCCCCCCCCCCCCN([PH+]=O)C(CO)C(=O)O.
What is the InChIKey of [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium?
The InChIKey is BPMLGWUKPCORIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H34NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(23-22)16(15-19)17(20)21/h16,19H,2-15H2,1H3,(H,20,21)/p+1.
What are the key properties of [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium?
[(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium has a molecular weight of 348.44 g/mol, XLogP of 4.37, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium is sourced from PubChem (CID 173034570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).