2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate

C12H24N2O4 — CID 174301541

IUPAC2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(C)N.CC(C(=O)O)N(C)C
InChIInChI=1S/C7H13NO2.C5H11NO2/c1-4-5-10-6(9)7(2,3)8;1-4(5(7)8)6(2)3/h4H,1,5,8H2,2-3H3;4H,1-3H3,(H,7,8)
InChIKeyWNCOLGPQXGUJDQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.47
Rot. Bonds5

About 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate

2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate (PubChem CID 174301541) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate
PubChem CID174301541
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(C)N.CC(C(=O)O)N(C)C
InChIInChI=1S/C7H13NO2.C5H11NO2/c1-4-5-10-6(9)7(2,3)8;1-4(5(7)8)6(2)3/h4H,1,5,8H2,2-3H3;4H,1-3H3,(H,7,8)
InChIKeyWNCOLGPQXGUJDQ-UHFFFAOYSA-N
XLogP0.47
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
acetic acid;2-(dimethylamino)propanoic acid;1,1-dimethyl-2-prop-2-enylguanidine
CID 174401746
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid
CID 174554815
1-aminopropyl prop-2-enoate;2-(dimethylamino)propanoic acid
CID 174713599
acetic acid;2-(dimethylamino)propanoic acid;guanidine
CID 159632012
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid
CID 174765019
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
2-(dimethylamino)propanoic acid;1-prop-2-enyl-4,5-dihydroimidazole
CID 174370876
prop-2-enyl 2-aminopropanoate
CID 91515395

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate?
The IUPAC name of 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate (CID 174301541) is 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate.
What is the SMILES notation for 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate?
The canonical SMILES for 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate is C=CCOC(=O)C(C)(C)N.CC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate?
The InChIKey is WNCOLGPQXGUJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C5H11NO2/c1-4-5-10-6(9)7(2,3)8;1-4(5(7)8)6(2)3/h4H,1,5,8H2,2-3H3;4H,1-3H3,(H,7,8).
What are the key properties of 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate?
2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate has a molecular weight of 260.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 174301541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).