methyl 4-amino-3-methoxybutanoate;hydrochloride

C6H14ClNO3 — CID 86811748

IUPACmethyl 4-amino-3-methoxybutanoate;hydrochloride
SMILESCOC(=O)CC(CN)OC.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-9-5(4-7)3-6(8)10-2;/h5H,3-4,7H2,1-2H3;1H
InChIKeyKBKIJSHXEDBWRJ-UHFFFAOYSA-N
MW183.63 g/mol
LogP-0.05
Rot. Bonds4

About methyl 4-amino-3-methoxybutanoate;hydrochloride

methyl 4-amino-3-methoxybutanoate;hydrochloride (PubChem CID 86811748) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is methyl 4-amino-3-methoxybutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-3-methoxybutanoate;hydrochloride
PubChem CID86811748
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Namemethyl 4-amino-3-methoxybutanoate;hydrochloride
SMILESCOC(=O)CC(CN)OC.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-9-5(4-7)3-6(8)10-2;/h5H,3-4,7H2,1-2H3;1H
InChIKeyKBKIJSHXEDBWRJ-UHFFFAOYSA-N
XLogP-0.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-methoxybutanoate;hydrochloride?
The IUPAC name of methyl 4-amino-3-methoxybutanoate;hydrochloride (CID 86811748) is methyl 4-amino-3-methoxybutanoate;hydrochloride.
What is the SMILES notation for methyl 4-amino-3-methoxybutanoate;hydrochloride?
The canonical SMILES for methyl 4-amino-3-methoxybutanoate;hydrochloride is COC(=O)CC(CN)OC.Cl.
What is the InChIKey of methyl 4-amino-3-methoxybutanoate;hydrochloride?
The InChIKey is KBKIJSHXEDBWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c1-9-5(4-7)3-6(8)10-2;/h5H,3-4,7H2,1-2H3;1H.
What are the key properties of methyl 4-amino-3-methoxybutanoate;hydrochloride?
methyl 4-amino-3-methoxybutanoate;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-methoxybutanoate;hydrochloride is sourced from PubChem (CID 86811748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).