methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride

C9H20Cl2N2O3 — CID 22907121

IUPACmethyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride
SMILESCOC(=O)C(N)CCN1CCOCC1.Cl.Cl
InChIInChI=1S/C9H18N2O3.2ClH/c1-13-9(12)8(10)2-3-11-4-6-14-7-5-11;;/h8H,2-7,10H2,1H3;2*1H
InChIKeyQOAJJEAUWXZGLE-UHFFFAOYSA-N
MW275.18 g/mol
LogP0.05
Rot. Bonds4

About methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride

methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride (PubChem CID 22907121) has the molecular formula C9H20Cl2N2O3 and a molecular weight of 275.18 g/mol. Its IUPAC name is methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride
PubChem CID22907121
Molecular FormulaC9H20Cl2N2O3
Molecular Weight275.18 g/mol
Exact Mass274.09
IUPAC Namemethyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride
SMILESCOC(=O)C(N)CCN1CCOCC1.Cl.Cl
InChIInChI=1S/C9H18N2O3.2ClH/c1-13-9(12)8(10)2-3-11-4-6-14-7-5-11;;/h8H,2-7,10H2,1H3;2*1H
InChIKeyQOAJJEAUWXZGLE-UHFFFAOYSA-N
XLogP0.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride?
The IUPAC name of methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride (CID 22907121) is methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride.
What is the SMILES notation for methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride?
The canonical SMILES for methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride is COC(=O)C(N)CCN1CCOCC1.Cl.Cl.
What is the InChIKey of methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride?
The InChIKey is QOAJJEAUWXZGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.2ClH/c1-13-9(12)8(10)2-3-11-4-6-14-7-5-11;;/h8H,2-7,10H2,1H3;2*1H.
What are the key properties of methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride?
methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride has a molecular weight of 275.18 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-morpholin-4-ylbutanoate;dihydrochloride is sourced from PubChem (CID 22907121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).