2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate

C10H22N2O4 — CID 166644612

IUPAC2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate
SMILESCC(C(=O)O)N(C)C.C[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/2C5H11NO2/c1-6(2,3)4-5(7)8;1-4(5(7)8)6(2)3/h4H2,1-3H3;4H,1-3H3,(H,7,8)
InChIKeyCVGQHKSMGJWLKO-UHFFFAOYSA-N
MW234.30 g/mol
LogP-1.54
Rot. Bonds4

About 2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate

2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate (PubChem CID 166644612) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate.

Molecular Properties

Compound Name2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate
PubChem CID166644612
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate
SMILESCC(C(=O)O)N(C)C.C[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/2C5H11NO2/c1-6(2,3)4-5(7)8;1-4(5(7)8)6(2)3/h4H2,1-3H3;4H,1-3H3,(H,7,8)
InChIKeyCVGQHKSMGJWLKO-UHFFFAOYSA-N
XLogP-1.54
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[tri((113C)methyl)azaniumyl]acetate
CID 171379439
CID 135390032
CID 135390032
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
azane;2-(trimethylazaniumyl)acetate
CID 19995695
sulfanium 2-(trimethylazaniumyl)acetate
CID 22046245
dimethylazanium;2-(trimethylazaniumyl)acetate
CID 22558275
formonitrile;2-(trimethylazaniumyl)acetate
CID 173415938
butane;2-(trimethylazaniumyl)acetate
CID 129220851
2-(dimethylamino)propanoic acid;ethanesulfonic acid
CID 90221086
acetic acid;2-(dimethylamino)propanoic acid;guanidine
CID 159632012
2-amino-2-methylpropanoic acid;2-(trimethylazaniumyl)acetate
CID 155168121
butanoic acid;2-(trimethylazaniumyl)acetate
CID 173357806

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate?
The IUPAC name of 2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate (CID 166644612) is 2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate.
What is the SMILES notation for 2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate?
The canonical SMILES for 2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate is CC(C(=O)O)N(C)C.C[N+](C)(C)CC(=O)[O-].
What is the InChIKey of 2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate?
The InChIKey is CVGQHKSMGJWLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO2/c1-6(2,3)4-5(7)8;1-4(5(7)8)6(2)3/h4H2,1-3H3;4H,1-3H3,(H,7,8).
What are the key properties of 2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate?
2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate has a molecular weight of 234.30 g/mol, XLogP of -1.54, 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;2-(trimethylazaniumyl)acetate is sourced from PubChem (CID 166644612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).