2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride

C11H27ClN2O4 — CID 174787599

IUPAC2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)C.CC(C)C(=O)O.CNC.Cl
InChIInChI=1S/C5H11NO2.C4H8O2.C2H7N.ClH/c1-4(5(7)8)6(2)3;1-3(2)4(5)6;1-3-2;/h4H,1-3H3,(H,7,8);3H,1-2H3,(H,5,6);3H,1-2H3;1H
InChIKeyHIXHNQJAIAKPTG-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.01
Rot. Bonds3

About 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride

2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride (PubChem CID 174787599) has the molecular formula C11H27ClN2O4 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride
PubChem CID174787599
Molecular FormulaC11H27ClN2O4
Molecular Weight286.80 g/mol
Exact Mass286.17
IUPAC Name2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)C.CC(C)C(=O)O.CNC.Cl
InChIInChI=1S/C5H11NO2.C4H8O2.C2H7N.ClH/c1-4(5(7)8)6(2)3;1-3(2)4(5)6;1-3-2;/h4H,1-3H3,(H,7,8);3H,1-2H3,(H,5,6);3H,1-2H3;1H
InChIKeyHIXHNQJAIAKPTG-UHFFFAOYSA-N
XLogP1.01
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride?
The IUPAC name of 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride (CID 174787599) is 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride?
The canonical SMILES for 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride is CC(C(=O)O)N(C)C.CC(C)C(=O)O.CNC.Cl.
What is the InChIKey of 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride?
The InChIKey is HIXHNQJAIAKPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H8O2.C2H7N.ClH/c1-4(5(7)8)6(2)3;1-3(2)4(5)6;1-3-2;/h4H,1-3H3,(H,7,8);3H,1-2H3,(H,5,6);3H,1-2H3;1H.
What are the key properties of 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride?
2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 174787599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).