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

C14H24ClNO4 — CID 88647511

IUPACbis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CC=C)(CCCC(=O)O)CCCC(=O)O.[Cl-]
InChIInChI=1S/C14H23NO4.ClH/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);1H
InChIKeyQOPOJUBDNHFCBT-UHFFFAOYSA-N
MW305.80 g/mol
LogP-1.09
Rot. Bonds12

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

bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride (PubChem CID 88647511) has the molecular formula C14H24ClNO4 and a molecular weight of 305.80 g/mol. Its IUPAC name is bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride.

Molecular Properties

Compound Namebis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride
PubChem CID88647511
Molecular FormulaC14H24ClNO4
Molecular Weight305.80 g/mol
Exact Mass305.14
IUPAC Namebis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CC=C)(CCCC(=O)O)CCCC(=O)O.[Cl-]
InChIInChI=1S/C14H23NO4.ClH/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);1H
InChIKeyQOPOJUBDNHFCBT-UHFFFAOYSA-N
XLogP-1.09
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 5-1.09
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
CID 57213889
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
5-[bis(4-carboxybutyl)-tetracos-23-enylazaniumyl]pentanoate
CID 177410740
tris(3-carboxypropyl)-[(E)-dec-2-enyl]azanium
CID 177496402
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hexadecyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 175005609
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884686
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
calcium bis(4-[3-carboxypropyl-(2-hydroxyethyl)-oct-7-enylazaniumyl]butanoate)
CID 101282012
buta-1,3-diene;decanedioic acid
CID 87614862

Frequently Asked Questions

What is the IUPAC name of bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride?
The IUPAC name of bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride (CID 88647511) is bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride.
What is the SMILES notation for bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride?
The canonical SMILES for bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride is C=CC[N+](CC=C)(CCCC(=O)O)CCCC(=O)O.[Cl-].
What is the InChIKey of bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride?
The InChIKey is QOPOJUBDNHFCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4.ClH/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);1H.
What are the key properties of bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride?
bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride has a molecular weight of 305.80 g/mol, XLogP of -1.09, 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 chloride is sourced from PubChem (CID 88647511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).