amino 2-(3-propylimidazol-1-ium-1-yl)acetate

C8H14N3O2+ — CID 123676796

IUPACamino 2-(3-propylimidazol-1-ium-1-yl)acetate
SMILESCCCn1cc[n+](CC(=O)ON)c1
InChIInChI=1S/C8H14N3O2/c1-2-3-10-4-5-11(7-10)6-8(12)13-9/h4-5,7H,2-3,6,9H2,1H3/q+1
InChIKeyIGLINYVBDPSJEN-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.40
Rot. Bonds4

About amino 2-(3-propylimidazol-1-ium-1-yl)acetate

amino 2-(3-propylimidazol-1-ium-1-yl)acetate (PubChem CID 123676796) has the molecular formula C8H14N3O2+ and a molecular weight of 184.22 g/mol. Its IUPAC name is amino 2-(3-propylimidazol-1-ium-1-yl)acetate.

Molecular Properties

Compound Nameamino 2-(3-propylimidazol-1-ium-1-yl)acetate
PubChem CID123676796
Molecular FormulaC8H14N3O2+
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Nameamino 2-(3-propylimidazol-1-ium-1-yl)acetate
SMILESCCCn1cc[n+](CC(=O)ON)c1
InChIInChI=1S/C8H14N3O2/c1-2-3-10-4-5-11(7-10)6-8(12)13-9/h4-5,7H,2-3,6,9H2,1H3/q+1
InChIKeyIGLINYVBDPSJEN-UHFFFAOYSA-N
XLogP-0.40
TPSA61.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-octadecylimidazol-1-ium-1-yl)acetamide
CID 101244526
1-propyl-3-[4-(3-propylimidazol-3-ium-1-yl)butyl]imidazol-1-ium
CID 118040993
2-(3-heptadecylimidazol-1-ium-1-yl)acetic acid
CID 132547918
1,3-dipropylimidazol-1-ium;2-hydroxy-2-oxoacetate
CID 162308284
2-(3-undecylimidazol-1-ium-1-yl)acetic acid
CID 132547916
methyl 3-(3-propylimidazol-3-ium-1-yl)propanoate bromide
CID 172695863
2-(3-butylimidazol-1-ium-1-yl)acetohydrazide
CID 176507232
N'-hydroxy-2-(3-pentadecylimidazol-1-ium-1-yl)ethanimidamide chloride
CID 45045359
2-[3-(2-aminoethyl)imidazol-1-ium-1-yl]acetic acid
CID 134387922
1-propyl-3-[[4-[(3-propylimidazol-1-ium-1-yl)methyl]phenyl]methyl]imidazol-3-ium
CID 139081696
1-propyl-3-undecylimidazol-1-ium
CID 87807956
1-propyl-3-(propylsulfanylmethyl)imidazol-3-ium
CID 150567474

Frequently Asked Questions

What is the IUPAC name of amino 2-(3-propylimidazol-1-ium-1-yl)acetate?
The IUPAC name of amino 2-(3-propylimidazol-1-ium-1-yl)acetate (CID 123676796) is amino 2-(3-propylimidazol-1-ium-1-yl)acetate.
What is the SMILES notation for amino 2-(3-propylimidazol-1-ium-1-yl)acetate?
The canonical SMILES for amino 2-(3-propylimidazol-1-ium-1-yl)acetate is CCCn1cc[n+](CC(=O)ON)c1.
What is the InChIKey of amino 2-(3-propylimidazol-1-ium-1-yl)acetate?
The InChIKey is IGLINYVBDPSJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O2/c1-2-3-10-4-5-11(7-10)6-8(12)13-9/h4-5,7H,2-3,6,9H2,1H3/q+1.
What are the key properties of amino 2-(3-propylimidazol-1-ium-1-yl)acetate?
amino 2-(3-propylimidazol-1-ium-1-yl)acetate has a molecular weight of 184.22 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(3-propylimidazol-1-ium-1-yl)acetate is sourced from PubChem (CID 123676796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).