(7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium

C11H23N2O2+ — CID 87126494

IUPAC(7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium
SMILESC=CCC(CCCN)(C(=O)O)[N+](C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-7-11(10(14)15,8-6-9-12)13(2,3)4/h5H,1,6-9,12H2,2-4H3/p+1
InChIKeyJRQLHPRWBKNLPQ-UHFFFAOYSA-O
MW215.32 g/mol
LogP0.83
Rot. Bonds7

About (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium

(7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium (PubChem CID 87126494) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium.

Molecular Properties

Compound Name(7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium
PubChem CID87126494
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name(7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium
SMILESC=CCC(CCCN)(C(=O)O)[N+](C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-7-11(10(14)15,8-6-9-12)13(2,3)4/h5H,1,6-9,12H2,2-4H3/p+1
InChIKeyJRQLHPRWBKNLPQ-UHFFFAOYSA-O
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.83
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

4-carboxynon-1-en-4-yl(trimethyl)azanium
CID 87843000
(1-amino-1-carboxybut-3-enyl)-trimethylazanium
CID 87196062
4-carboxyhexadecan-4-yl(trimethyl)azanium
CID 19607298
2-carboxypent-4-en-2-yl-ethyl-dimethylazanium
CID 87400089
(2R)-2-amino-2-propylpent-4-enoic acid
CID 102284688
(2R)-2-acetyl-2-hydroxypent-4-enoic acid
CID 172853927
but-3-ene-1,1,1-tricarboxylic acid
CID 59237686
[(24Z,27Z)-15-carboxytritriaconta-24,27-dien-15-yl]-trimethylazanium
CID 87390525
3-aminopropyl-dimethyl-prop-2-enoylazanium
CID 87384189
(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid
CID 134989261
2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid
CID 88769968
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535

Frequently Asked Questions

What is the IUPAC name of (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium?
The IUPAC name of (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium (CID 87126494) is (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium.
What is the SMILES notation for (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium?
The canonical SMILES for (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium is C=CCC(CCCN)(C(=O)O)[N+](C)(C)C.
What is the InChIKey of (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium?
The InChIKey is JRQLHPRWBKNLPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O2/c1-5-7-11(10(14)15,8-6-9-12)13(2,3)4/h5H,1,6-9,12H2,2-4H3/p+1.
What are the key properties of (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium?
(7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium has a molecular weight of 215.32 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-4-carboxyhept-1-en-4-yl)-trimethylazanium is sourced from PubChem (CID 87126494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).