5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium

C9H19NO5P+ — CID 89102617

IUPAC5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium
SMILESCNCCO[P+](=O)OCCCCCC(=O)O
InChIInChI=1S/C9H18NO5P/c1-10-6-8-15-16(13)14-7-4-2-3-5-9(11)12/h10H,2-8H2,1H3/p+1
InChIKeyKXRIKKRYWLGKMB-UHFFFAOYSA-O
MW252.23 g/mol
LogP1.54
Rot. Bonds11

About 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium

5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium (PubChem CID 89102617) has the molecular formula C9H19NO5P+ and a molecular weight of 252.23 g/mol. Its IUPAC name is 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium.

Molecular Properties

Compound Name5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium
PubChem CID89102617
Molecular FormulaC9H19NO5P+
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium
SMILESCNCCO[P+](=O)OCCCCCC(=O)O
InChIInChI=1S/C9H18NO5P/c1-10-6-8-15-16(13)14-7-4-2-3-5-9(11)12/h10H,2-8H2,1H3/p+1
InChIKeyKXRIKKRYWLGKMB-UHFFFAOYSA-O
XLogP1.54
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-(methylamino)hexanoic acid
CID 4989372
3-[11-(methylamino)undecoxy]propanoic acid
CID 118279821
5-(methylamino)pentanoic acid
CID 91583432
ethane;5-(methylamino)pentanoic acid
CID 178043439
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
8-(3-carboxypropoxy)octanoic acid
CID 154155651
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
CID 88504944
carbonic acid;decanedioic acid
CID 159592525
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
bis[2-(methylamino)ethyl] hexanedioate;polane
CID 173355362

Frequently Asked Questions

What is the IUPAC name of 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium?
The IUPAC name of 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium (CID 89102617) is 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium.
What is the SMILES notation for 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium?
The canonical SMILES for 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium is CNCCO[P+](=O)OCCCCCC(=O)O.
What is the InChIKey of 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium?
The InChIKey is KXRIKKRYWLGKMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18NO5P/c1-10-6-8-15-16(13)14-7-4-2-3-5-9(11)12/h10H,2-8H2,1H3/p+1.
What are the key properties of 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium?
5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium has a molecular weight of 252.23 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxypentoxy-[2-(methylamino)ethoxy]-oxophosphanium is sourced from PubChem (CID 89102617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).