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

C8H17ClN2O3 — CID 67495366

IUPAC3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride
SMILESCC(N)C(C(=O)O)N1CCOCC1.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-6(9)7(8(11)12)10-2-4-13-5-3-10;/h6-7H,2-5,9H2,1H3,(H,11,12);1H
InChIKeyNCXFWRHNHKQFOS-UHFFFAOYSA-N
MW224.69 g/mol
LogP-0.46
Rot. Bonds3

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

3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride (PubChem CID 67495366) has the molecular formula C8H17ClN2O3 and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride
PubChem CID67495366
Molecular FormulaC8H17ClN2O3
Molecular Weight224.69 g/mol
Exact Mass224.09
IUPAC Name3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride
SMILESCC(N)C(C(=O)O)N1CCOCC1.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-6(9)7(8(11)12)10-2-4-13-5-3-10;/h6-7H,2-5,9H2,1H3,(H,11,12);1H
InChIKeyNCXFWRHNHKQFOS-UHFFFAOYSA-N
XLogP-0.46
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 5-0.46
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;hydrochloride?
The IUPAC name of 3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride (CID 67495366) is 3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride?
The canonical SMILES for 3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride is CC(N)C(C(=O)O)N1CCOCC1.Cl.
What is the InChIKey of 3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride?
The InChIKey is NCXFWRHNHKQFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.ClH/c1-6(9)7(8(11)12)10-2-4-13-5-3-10;/h6-7H,2-5,9H2,1H3,(H,11,12);1H.
What are the key properties of 3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride?
3-amino-2-morpholin-4-ylbutanoic acid;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of -0.46, 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;hydrochloride is sourced from PubChem (CID 67495366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).