2-(2-methoxyethylamino)acetic acid;hydrochloride

C5H12ClNO3 — CID 54593531

IUPAC2-(2-methoxyethylamino)acetic acid;hydrochloride
SMILESCOCCNCC(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-9-3-2-6-4-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H
InChIKeyXBCWQWKHOGWBDA-UHFFFAOYSA-N
MW169.61 g/mol
LogP-0.27
Rot. Bonds5

About 2-(2-methoxyethylamino)acetic acid;hydrochloride

2-(2-methoxyethylamino)acetic acid;hydrochloride (PubChem CID 54593531) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)acetic acid;hydrochloride
PubChem CID54593531
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Name2-(2-methoxyethylamino)acetic acid;hydrochloride
SMILESCOCCNCC(=O)O.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-9-3-2-6-4-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H
InChIKeyXBCWQWKHOGWBDA-UHFFFAOYSA-N
XLogP-0.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.27
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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Related Compounds

N-Ethylglycine
CID 316542
N-(2-Hydroxyethyl)glycine
CID 225935
Ethyl N-methylaminoacetate hydrochloride
CID 171173
Sarcosine methyl ester
CID 83545
Glycine, N-methyl-, ethyl ester
CID 95849
Ethyl 2-(ethylamino)acetate
CID 12591597
Glycine, N-methyl-, methyl ester, hydrochloride (1:1)
CID 83544
Dimethyl Iminodiacetate Hydrochloride
CID 2727727
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate
CID 428827
Ethyl 2-(propylamino)acetate
CID 13454968
2-(Ethylamino)acetic acid hydrochloride
CID 19011402
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)acetic acid;hydrochloride (CID 54593531) is 2-(2-methoxyethylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)acetic acid;hydrochloride is COCCNCC(=O)O.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)acetic acid;hydrochloride?
The InChIKey is XBCWQWKHOGWBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c1-9-3-2-6-4-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H.
What are the key properties of 2-(2-methoxyethylamino)acetic acid;hydrochloride?
2-(2-methoxyethylamino)acetic acid;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)acetic acid;hydrochloride is sourced from PubChem (CID 54593531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).