4-amino-3-methoxybutanoic acid;hydrochloride

C5H12ClNO3 — CID 75511283

IUPAC4-amino-3-methoxybutanoic acid;hydrochloride
SMILESCOC(CN)CC(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-9-4(3-6)2-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H
InChIKeyRBPHTHXIQIIPJQ-UHFFFAOYSA-N
MW169.61 g/mol
LogP-0.14
Rot. Bonds4

About 4-amino-3-methoxybutanoic acid;hydrochloride

4-amino-3-methoxybutanoic acid;hydrochloride (PubChem CID 75511283) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 4-amino-3-methoxybutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxybutanoic acid;hydrochloride
PubChem CID75511283
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name4-amino-3-methoxybutanoic acid;hydrochloride
SMILESCOC(CN)CC(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-9-4(3-6)2-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H
InChIKeyRBPHTHXIQIIPJQ-UHFFFAOYSA-N
XLogP-0.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxybutanoic acid;hydrochloride?
The IUPAC name of 4-amino-3-methoxybutanoic acid;hydrochloride (CID 75511283) is 4-amino-3-methoxybutanoic acid;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxybutanoic acid;hydrochloride?
The canonical SMILES for 4-amino-3-methoxybutanoic acid;hydrochloride is COC(CN)CC(=O)O.Cl.
What is the InChIKey of 4-amino-3-methoxybutanoic acid;hydrochloride?
The InChIKey is RBPHTHXIQIIPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c1-9-4(3-6)2-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H.
What are the key properties of 4-amino-3-methoxybutanoic acid;hydrochloride?
4-amino-3-methoxybutanoic acid;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxybutanoic acid;hydrochloride is sourced from PubChem (CID 75511283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).