bis(3-carboxypropyl)-bis(prop-2-enyl)azanium

C14H24NO4+ — CID 57213889

IUPACbis(3-carboxypropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CCCC(=O)O)CCCC(=O)O
InChIInChI=1S/C14H23NO4/c1-3-9-15(10-4-2,11-5-7-13(16)17)12-6-8-14(18)19/h3-4H,1-2,5-12H2,(H-,16,17,18,19)/p+1
InChIKeyKZTYEULIENMSMX-UHFFFAOYSA-O
MW270.35 g/mol
LogP1.90
Rot. Bonds12

About bis(3-carboxypropyl)-bis(prop-2-enyl)azanium

bis(3-carboxypropyl)-bis(prop-2-enyl)azanium (PubChem CID 57213889) has the molecular formula C14H24NO4+ and a molecular weight of 270.35 g/mol. Its IUPAC name is bis(3-carboxypropyl)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis(3-carboxypropyl)-bis(prop-2-enyl)azanium
PubChem CID57213889
Molecular FormulaC14H24NO4+
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Namebis(3-carboxypropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CCCC(=O)O)CCCC(=O)O
InChIInChI=1S/C14H23NO4/c1-3-9-15(10-4-2,11-5-7-13(16)17)12-6-8-14(18)19/h3-4H,1-2,5-12H2,(H-,16,17,18,19)/p+1
InChIKeyKZTYEULIENMSMX-UHFFFAOYSA-O
XLogP1.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride
CID 88647511
3-carboxypropyl-methyl-bis(prop-2-enyl)azanium
CID 87275045
4-[bis(3-carboxypropyl)-nonadec-18-enylazaniumyl]butanoate
CID 177486419
4-[bis(3-carboxypropyl)-tridec-12-enylazaniumyl]butanoate
CID 177447962
carboxymethyl-bis(prop-2-enyl)-undecylazanium
CID 101084862
tris(3-carboxypropyl)-[(E)-dec-2-enyl]azanium
CID 177496402
5-[bis(4-carboxybutyl)-tetracos-23-enylazaniumyl]pentanoate
CID 177410740
calcium bis(4-[3-carboxypropyl-(2-hydroxyethyl)-oct-7-enylazaniumyl]butanoate)
CID 101282012
buta-1,3-diene;decanedioic acid
CID 87614862
octadec-17-enoic acid
CID 5312444
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enoic acid
CID 543857

Frequently Asked Questions

What is the IUPAC name of bis(3-carboxypropyl)-bis(prop-2-enyl)azanium?
The IUPAC name of bis(3-carboxypropyl)-bis(prop-2-enyl)azanium (CID 57213889) is bis(3-carboxypropyl)-bis(prop-2-enyl)azanium.
What is the SMILES notation for bis(3-carboxypropyl)-bis(prop-2-enyl)azanium?
The canonical SMILES for bis(3-carboxypropyl)-bis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CCCC(=O)O)CCCC(=O)O.
What is the InChIKey of bis(3-carboxypropyl)-bis(prop-2-enyl)azanium?
The InChIKey is KZTYEULIENMSMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23NO4/c1-3-9-15(10-4-2,11-5-7-13(16)17)12-6-8-14(18)19/h3-4H,1-2,5-12H2,(H-,16,17,18,19)/p+1.
What are the key properties of bis(3-carboxypropyl)-bis(prop-2-enyl)azanium?
bis(3-carboxypropyl)-bis(prop-2-enyl)azanium has a molecular weight of 270.35 g/mol, XLogP of 1.90, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-carboxypropyl)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 57213889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).