2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride

C7H16Cl2N2O3 — CID 25224145

IUPAC2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.NC(CN1CCOCC1)C(=O)O
InChIInChI=1S/C7H14N2O3.2ClH/c8-6(7(10)11)5-9-1-3-12-4-2-9;;/h6H,1-5,8H2,(H,10,11);2*1H
InChIKeyIHSJDYZUKDSHLH-UHFFFAOYSA-N
MW247.12 g/mol
LogP-0.43
Rot. Bonds3

About 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride

2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride (PubChem CID 25224145) has the molecular formula C7H16Cl2N2O3 and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride
PubChem CID25224145
Molecular FormulaC7H16Cl2N2O3
Molecular Weight247.12 g/mol
Exact Mass246.05
IUPAC Name2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.NC(CN1CCOCC1)C(=O)O
InChIInChI=1S/C7H14N2O3.2ClH/c8-6(7(10)11)5-9-1-3-12-4-2-9;;/h6H,1-5,8H2,(H,10,11);2*1H
InChIKeyIHSJDYZUKDSHLH-UHFFFAOYSA-N
XLogP-0.43
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
Methyl 4-methylpiperazine-2-carboxylate dihydrochloride
CID 163355424
Methyl 2-amino-3-(morpholin-4-yl)propanoate dihydrochloride
CID 91662887
2-Amino-3-methyl-3-(morpholin-4-yl)butanoic acid dihydrochloride
CID 146155823
Methyl (S)-1-methylpiperazine-2-carboxylate dihydrochloride
CID 167735941
(S)-2-Amino-3-morpholinopropanoic acid
CID 15347149
2-Amino-3-morpholinopropanoic acid
CID 10634204
(R)-2-Amino-3-morpholinopropanoic acid
CID 93511164
Ethyl piperazine-1,4-diium-2-carboxylate dichloride
CID 10633256
Ethyl Piperazine-2-carboxylate Dihydrochloride
CID 11253230
Ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
Methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride
CID 22492202

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride?
The IUPAC name of 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride (CID 25224145) is 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride is Cl.Cl.NC(CN1CCOCC1)C(=O)O.
What is the InChIKey of 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride?
The InChIKey is IHSJDYZUKDSHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.2ClH/c8-6(7(10)11)5-9-1-3-12-4-2-9;;/h6H,1-5,8H2,(H,10,11);2*1H.
What are the key properties of 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride?
2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride has a molecular weight of 247.12 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-morpholin-4-ylpropanoic acid;dihydrochloride is sourced from PubChem (CID 25224145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).