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

C8H18Cl2N2O3 — CID 67056321

IUPAC3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride
SMILESCC(N)C(C(=O)O)N1CCOCC1.Cl.Cl
InChIInChI=1S/C8H16N2O3.2ClH/c1-6(9)7(8(11)12)10-2-4-13-5-3-10;;/h6-7H,2-5,9H2,1H3,(H,11,12);2*1H
InChIKeyMWNQGFDRDDGSOY-UHFFFAOYSA-N
MW261.15 g/mol
LogP-0.04
Rot. Bonds3

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

3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride (PubChem CID 67056321) has the molecular formula C8H18Cl2N2O3 and a molecular weight of 261.15 g/mol. Its IUPAC name is 3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride
PubChem CID67056321
Molecular FormulaC8H18Cl2N2O3
Molecular Weight261.15 g/mol
Exact Mass260.07
IUPAC Name3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride
SMILESCC(N)C(C(=O)O)N1CCOCC1.Cl.Cl
InChIInChI=1S/C8H16N2O3.2ClH/c1-6(9)7(8(11)12)10-2-4-13-5-3-10;;/h6-7H,2-5,9H2,1H3,(H,11,12);2*1H
InChIKeyMWNQGFDRDDGSOY-UHFFFAOYSA-N
XLogP-0.04
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride?
The IUPAC name of 3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride (CID 67056321) is 3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride.
What is the SMILES notation for 3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride?
The canonical SMILES for 3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride is CC(N)C(C(=O)O)N1CCOCC1.Cl.Cl.
What is the InChIKey of 3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride?
The InChIKey is MWNQGFDRDDGSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.2ClH/c1-6(9)7(8(11)12)10-2-4-13-5-3-10;;/h6-7H,2-5,9H2,1H3,(H,11,12);2*1H.
What are the key properties of 3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride?
3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride has a molecular weight of 261.15 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-morpholin-4-ylbutanoic acid;dihydrochloride is sourced from PubChem (CID 67056321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).