2-(2-aminoethoxy)acetic acid;hydrochloride

C4H10ClNO3 — CID 12949995

IUPAC2-(2-aminoethoxy)acetic acid;hydrochloride
SMILESCl.NCCOCC(=O)O
InChIInChI=1S/C4H9NO3.ClH/c5-1-2-8-3-4(6)7;/h1-3,5H2,(H,6,7);1H
InChIKeyIVTUZBXDJSWUTI-UHFFFAOYSA-N
MW155.58 g/mol
LogP-0.53
Rot. Bonds4

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

2-(2-aminoethoxy)acetic acid;hydrochloride (PubChem CID 12949995) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is 2-(2-aminoethoxy)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethoxy)acetic acid;hydrochloride
PubChem CID12949995
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Name2-(2-aminoethoxy)acetic acid;hydrochloride
SMILESCl.NCCOCC(=O)O
InChIInChI=1S/C4H9NO3.ClH/c5-1-2-8-3-4(6)7;/h1-3,5H2,(H,6,7);1H
InChIKeyIVTUZBXDJSWUTI-UHFFFAOYSA-N
XLogP-0.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 5-0.53
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 2-(2-aminoethoxy)acetic acid;hydrochloride?
The IUPAC name of 2-(2-aminoethoxy)acetic acid;hydrochloride (CID 12949995) is 2-(2-aminoethoxy)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-aminoethoxy)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-aminoethoxy)acetic acid;hydrochloride is Cl.NCCOCC(=O)O.
What is the InChIKey of 2-(2-aminoethoxy)acetic acid;hydrochloride?
The InChIKey is IVTUZBXDJSWUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c5-1-2-8-3-4(6)7;/h1-3,5H2,(H,6,7);1H.
What are the key properties of 2-(2-aminoethoxy)acetic acid;hydrochloride?
2-(2-aminoethoxy)acetic acid;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)acetic acid;hydrochloride is sourced from PubChem (CID 12949995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).