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

C11H20NO2+ — CID 87275045

IUPAC3-carboxypropyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCC(=O)O
InChIInChI=1S/C11H19NO2/c1-4-8-12(3,9-5-2)10-6-7-11(13)14/h4-5H,1-2,6-10H2,3H3/p+1
InChIKeyQHNTWSBGPVGRIU-UHFFFAOYSA-O
MW198.29 g/mol
LogP1.67
Rot. Bonds8

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

3-carboxypropyl-methyl-bis(prop-2-enyl)azanium (PubChem CID 87275045) has the molecular formula C11H20NO2+ and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-carboxypropyl-methyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name3-carboxypropyl-methyl-bis(prop-2-enyl)azanium
PubChem CID87275045
Molecular FormulaC11H20NO2+
Molecular Weight198.29 g/mol
Exact Mass198.15
IUPAC Name3-carboxypropyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCC(=O)O
InChIInChI=1S/C11H19NO2/c1-4-8-12(3,9-5-2)10-6-7-11(13)14/h4-5H,1-2,6-10H2,3H3/p+1
InChIKeyQHNTWSBGPVGRIU-UHFFFAOYSA-O
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
bis(3-carboxypropyl)-bis(prop-2-enyl)azanium chloride
CID 88647511
methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide
CID 174242463
bis(2-carboxyethyl-(2-hydroxyethyl)-methyl-prop-2-enylazanium);sulfate
CID 175249815
hexadecyl-methyl-bis(prop-2-enyl)azanium
CID 639901
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hexadecyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 175005609
2-(dimethylamino)propanoic acid;methyl-bis(prop-2-enyl)-(3-sulfopropyl)azanium
CID 174486124
methyl-tris(prop-2-enyl)azanium iodide
CID 14172654
3-carboxypropyl-(chloromethyl)-dimethylazanium
CID 66575660
butanedioic acid;3-carboxypropyl-ethyl-dimethylazanium
CID 71466365
buta-1,3-diene;decanedioic acid
CID 87614862
3-carboxypropyl-dimethyl-[6-(prop-2-enoylamino)hexyl]azanium
CID 118143398

Frequently Asked Questions

What is the IUPAC name of 3-carboxypropyl-methyl-bis(prop-2-enyl)azanium?
The IUPAC name of 3-carboxypropyl-methyl-bis(prop-2-enyl)azanium (CID 87275045) is 3-carboxypropyl-methyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for 3-carboxypropyl-methyl-bis(prop-2-enyl)azanium?
The canonical SMILES for 3-carboxypropyl-methyl-bis(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)CCCC(=O)O.
What is the InChIKey of 3-carboxypropyl-methyl-bis(prop-2-enyl)azanium?
The InChIKey is QHNTWSBGPVGRIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19NO2/c1-4-8-12(3,9-5-2)10-6-7-11(13)14/h4-5H,1-2,6-10H2,3H3/p+1.
What are the key properties of 3-carboxypropyl-methyl-bis(prop-2-enyl)azanium?
3-carboxypropyl-methyl-bis(prop-2-enyl)azanium has a molecular weight of 198.29 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxypropyl-methyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 87275045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).