2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride

C9H20Cl2N2O3 — CID 146155823

IUPAC2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride
SMILESCC(C)(C(N)C(=O)O)N1CCOCC1.Cl.Cl
InChIInChI=1S/C9H18N2O3.2ClH/c1-9(2,7(10)8(12)13)11-3-5-14-6-4-11;;/h7H,3-6,10H2,1-2H3,(H,12,13);2*1H
InChIKeyMUHDRMZVGIJGAR-UHFFFAOYSA-N
MW275.18 g/mol
LogP0.35
Rot. Bonds3

About 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride

2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride (PubChem CID 146155823) has the molecular formula C9H20Cl2N2O3 and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride
PubChem CID146155823
Molecular FormulaC9H20Cl2N2O3
Molecular Weight275.18 g/mol
Exact Mass274.09
IUPAC Name2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride
SMILESCC(C)(C(N)C(=O)O)N1CCOCC1.Cl.Cl
InChIInChI=1S/C9H18N2O3.2ClH/c1-9(2,7(10)8(12)13)11-3-5-14-6-4-11;;/h7H,3-6,10H2,1-2H3,(H,12,13);2*1H
InChIKeyMUHDRMZVGIJGAR-UHFFFAOYSA-N
XLogP0.35
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-(morpholin-4-yl)propanoic acid dihydrochloride
CID 25224145
Methyl 2-amino-3-(morpholin-4-yl)propanoate dihydrochloride
CID 91662887
2-Amino-3-methyl-3-(morpholin-4-yl)butanoic acid
CID 146155824
2-(Diethylamino)-3-morpholin-4-ylbutanoic acid
CID 19753104
2-Methyl-2,3-dimorpholin-4-ylbutanoic acid
CID 54159946
3-Amino-2-morpholin-4-ylbutanoic acid;dihydrochloride
CID 67056321
3-Amino-2-morpholin-4-ylbutanoic acid
CID 67056322
3-(Methylamino)-2-morpholin-4-ylpropanoic acid;dihydrochloride
CID 67056323
3-Amino-2-morpholin-4-ylbutanoic acid;hydrochloride
CID 67495366
3-(Methylamino)-2-morpholin-4-ylpropanoic acid;hydrochloride
CID 67495367
Ethyl 2,3-dimethylpiperazine-2-carboxylate
CID 91439408
3-[(2S)-2-(methoxymethyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 140824403

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride?
The IUPAC name of 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride (CID 146155823) is 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride is CC(C)(C(N)C(=O)O)N1CCOCC1.Cl.Cl.
What is the InChIKey of 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride?
The InChIKey is MUHDRMZVGIJGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.2ClH/c1-9(2,7(10)8(12)13)11-3-5-14-6-4-11;;/h7H,3-6,10H2,1-2H3,(H,12,13);2*1H.
What are the key properties of 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride?
2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride has a molecular weight of 275.18 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid;dihydrochloride is sourced from PubChem (CID 146155823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).