methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride

C8H17ClN2O3 — CID 22492202

IUPACmethyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride
SMILESCOC(=O)C(N)CN1CCOCC1.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-12-8(11)7(9)6-10-2-4-13-5-3-10;/h7H,2-6,9H2,1H3;1H
InChIKeyBLAXRYYFNYGGFQ-UHFFFAOYSA-N
MW224.69 g/mol
LogP-0.76
Rot. Bonds3

About methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride

methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride (PubChem CID 22492202) has the molecular formula C8H17ClN2O3 and a molecular weight of 224.69 g/mol. Its IUPAC name is methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride
PubChem CID22492202
Molecular FormulaC8H17ClN2O3
Molecular Weight224.69 g/mol
Exact Mass224.09
IUPAC Namemethyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride
SMILESCOC(=O)C(N)CN1CCOCC1.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-12-8(11)7(9)6-10-2-4-13-5-3-10;/h7H,2-6,9H2,1H3;1H
InChIKeyBLAXRYYFNYGGFQ-UHFFFAOYSA-N
XLogP-0.76
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride (CID 22492202) is methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride is COC(=O)C(N)CN1CCOCC1.Cl.
What is the InChIKey of methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride?
The InChIKey is BLAXRYYFNYGGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.ClH/c1-12-8(11)7(9)6-10-2-4-13-5-3-10;/h7H,2-6,9H2,1H3;1H.
What are the key properties of methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride?
methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-morpholin-4-ylpropanoate;hydrochloride is sourced from PubChem (CID 22492202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).