3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride

C8H18Cl2N2O3 — CID 67056323

IUPAC3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride
SMILESCNCC(C(=O)O)N1CCOCC1.Cl.Cl
InChIInChI=1S/C8H16N2O3.2ClH/c1-9-6-7(8(11)12)10-2-4-13-5-3-10;;/h7,9H,2-6H2,1H3,(H,11,12);2*1H
InChIKeyVETLXCRBIDBFNM-UHFFFAOYSA-N
MW261.15 g/mol
LogP-0.17
Rot. Bonds4

About 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride

3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride (PubChem CID 67056323) has the molecular formula C8H18Cl2N2O3 and a molecular weight of 261.15 g/mol. Its IUPAC name is 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride
PubChem CID67056323
Molecular FormulaC8H18Cl2N2O3
Molecular Weight261.15 g/mol
Exact Mass260.07
IUPAC Name3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride
SMILESCNCC(C(=O)O)N1CCOCC1.Cl.Cl
InChIInChI=1S/C8H16N2O3.2ClH/c1-9-6-7(8(11)12)10-2-4-13-5-3-10;;/h7,9H,2-6H2,1H3,(H,11,12);2*1H
InChIKeyVETLXCRBIDBFNM-UHFFFAOYSA-N
XLogP-0.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperazine-2-carboxylic acid dihydrochloride
CID 2723757
Methyl Piperazine-2-carboxylate Dihydrochloride
CID 2760425
(2S)-piperazine-2-carboxylic acid dihydrochloride
CID 2734260
4-Ethylpiperazine-2-carboxylic acid
CID 17919893
1-Ethylpiperazine-2-carboxylic acid
CID 52911181
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
1-Methylpiperazine-2-carboxylic acid dihydrochloride
CID 75531238
Methyl 4-methylpiperazine-2-carboxylate dihydrochloride
CID 163355424
(2R)-4-methylpiperazine-2-carboxylic acid dihydrochloride
CID 171323322
2-Amino-3-(morpholin-4-yl)propanoic acid dihydrochloride
CID 25224145
Methyl 2-amino-3-(morpholin-4-yl)propanoate dihydrochloride
CID 91662887

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride?
The IUPAC name of 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride (CID 67056323) is 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride.
What is the SMILES notation for 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride?
The canonical SMILES for 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride is CNCC(C(=O)O)N1CCOCC1.Cl.Cl.
What is the InChIKey of 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride?
The InChIKey is VETLXCRBIDBFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.2ClH/c1-9-6-7(8(11)12)10-2-4-13-5-3-10;;/h7,9H,2-6H2,1H3,(H,11,12);2*1H.
What are the key properties of 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride?
3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride has a molecular weight of 261.15 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride is sourced from PubChem (CID 67056323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).