2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole

C11H21N3O2 — CID 174370876

IUPAC2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole
SMILESC=CCN1C=NCC1.CC(C(=O)O)N(C)C
InChIInChI=1S/C6H10N2.C5H11NO2/c1-2-4-8-5-3-7-6-8;1-4(5(7)8)6(2)3/h2,6H,1,3-5H2;4H,1-3H3,(H,7,8)
InChIKeyJOLJTDSTKDJCSI-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.54
Rot. Bonds4

About 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole

2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole (PubChem CID 174370876) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole
PubChem CID174370876
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole
SMILESC=CCN1C=NCC1.CC(C(=O)O)N(C)C
InChIInChI=1S/C6H10N2.C5H11NO2/c1-2-4-8-5-3-7-6-8;1-4(5(7)8)6(2)3/h2,6H,1,3-5H2;4H,1-3H3,(H,7,8)
InChIKeyJOLJTDSTKDJCSI-UHFFFAOYSA-N
XLogP0.54
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole
CID 174534440
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate
CID 174301541
3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid
CID 70498652
2-(dimethylamino)propanoic acid;4-ethenylpyridine
CID 174623561
2-(dimethylamino)propanoic acid;4-(2-prop-2-enylimidazol-1-yl)but-2-enoic acid
CID 174675191
2-[5-(1-hydroxyethyl)-1-prop-2-enyl-4H-imidazol-5-yl]acetic acid
CID 70498915
1-(4,5-dihydroimidazol-1-yl)but-3-en-1-one
CID 70108216
6-(4,5-dihydroimidazol-1-yl)-3-hydroxyhept-3-enoic acid
CID 174574954
acetic acid;2-(dimethylamino)propanoic acid;1,1-dimethyl-2-prop-2-enylguanidine
CID 174401746
acetic acid;2-(dimethylamino)propanoic acid;guanidine
CID 159632012

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole?
The IUPAC name of 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole (CID 174370876) is 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole?
The canonical SMILES for 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole is C=CCN1C=NCC1.CC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole?
The InChIKey is JOLJTDSTKDJCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C5H11NO2/c1-2-4-8-5-3-7-6-8;1-4(5(7)8)6(2)3/h2,6H,1,3-5H2;4H,1-3H3,(H,7,8).
What are the key properties of 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole?
2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole has a molecular weight of 227.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole is sourced from PubChem (CID 174370876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).