2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride

C7H15ClN2O2 — CID 87106822

IUPAC2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride
SMILESC=CCNCCNCC(=O)O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-2-3-8-4-5-9-6-7(10)11;/h2,8-9H,1,3-6H2,(H,10,11);1H
InChIKeyFQUFUJBGYYJSTP-UHFFFAOYSA-N
MW194.66 g/mol
LogP-0.14
Rot. Bonds7

About 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride

2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride (PubChem CID 87106822) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride
PubChem CID87106822
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride
SMILESC=CCNCCNCC(=O)O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-2-3-8-4-5-9-6-7(10)11;/h2,8-9H,1,3-6H2,(H,10,11);1H
InChIKeyFQUFUJBGYYJSTP-UHFFFAOYSA-N
XLogP-0.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride (CID 87106822) is 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride is C=CCNCCNCC(=O)O.Cl.
What is the InChIKey of 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride?
The InChIKey is FQUFUJBGYYJSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-2-3-8-4-5-9-6-7(10)11;/h2,8-9H,1,3-6H2,(H,10,11);1H.
What are the key properties of 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride?
2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(prop-2-enylamino)ethylamino]acetic acid;hydrochloride is sourced from PubChem (CID 87106822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).