2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride

C7H15ClN2O2 — CID 87752516

IUPAC2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride
SMILESC=CCN(CCN)CC(=O)O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-2-4-9(5-3-8)6-7(10)11;/h2H,1,3-6,8H2,(H,10,11);1H
InChIKeyAEDCSZJFFALSAM-UHFFFAOYSA-N
MW194.66 g/mol
LogP-0.06
Rot. Bonds6

About 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride

2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride (PubChem CID 87752516) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride
PubChem CID87752516
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride
SMILESC=CCN(CCN)CC(=O)O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-2-4-9(5-3-8)6-7(10)11;/h2H,1,3-6,8H2,(H,10,11);1H
InChIKeyAEDCSZJFFALSAM-UHFFFAOYSA-N
XLogP-0.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride (CID 87752516) is 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride is C=CCN(CCN)CC(=O)O.Cl.
What is the InChIKey of 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride?
The InChIKey is AEDCSZJFFALSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-2-4-9(5-3-8)6-7(10)11;/h2H,1,3-6,8H2,(H,10,11);1H.
What are the key properties of 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride?
2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 87752516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).