3-amino-N-(2-methoxyethyl)propanamide;hydrochloride

C6H15ClN2O2 — CID 56832081

IUPAC3-amino-N-(2-methoxyethyl)propanamide;hydrochloride
SMILESCOCCNC(=O)CCN.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-10-5-4-8-6(9)2-3-7;/h2-5,7H2,1H3,(H,8,9);1H
InChIKeyWRSVRXLGHKNPPR-UHFFFAOYSA-N
MW182.65 g/mol
LogP-0.48
Rot. Bonds5

About 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride

3-amino-N-(2-methoxyethyl)propanamide;hydrochloride (PubChem CID 56832081) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)propanamide;hydrochloride
PubChem CID56832081
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Name3-amino-N-(2-methoxyethyl)propanamide;hydrochloride
SMILESCOCCNC(=O)CCN.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-10-5-4-8-6(9)2-3-7;/h2-5,7H2,1H3,(H,8,9);1H
InChIKeyWRSVRXLGHKNPPR-UHFFFAOYSA-N
XLogP-0.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride (CID 56832081) is 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride is COCCNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride?
The InChIKey is WRSVRXLGHKNPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-10-5-4-8-6(9)2-3-7;/h2-5,7H2,1H3,(H,8,9);1H.
What are the key properties of 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride?
3-amino-N-(2-methoxyethyl)propanamide;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)propanamide;hydrochloride is sourced from PubChem (CID 56832081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).