2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid

C10H18N2O2 — CID 87328651

IUPAC2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid
SMILESC=CCN(CC=C)CCNCC(=O)O
InChIInChI=1S/C10H18N2O2/c1-3-6-12(7-4-2)8-5-11-9-10(13)14/h3-4,11H,1-2,5-9H2,(H,13,14)
InChIKeyHSZGMZSJCCGJOR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.33
Rot. Bonds9

About 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid

2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid (PubChem CID 87328651) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid
PubChem CID87328651
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid
SMILESC=CCN(CC=C)CCNCC(=O)O
InChIInChI=1S/C10H18N2O2/c1-3-6-12(7-4-2)8-5-11-9-10(13)14/h3-4,11H,1-2,5-9H2,(H,13,14)
InChIKeyHSZGMZSJCCGJOR-UHFFFAOYSA-N
XLogP0.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid 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-[bis(prop-2-enyl)amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid (CID 87328651) is 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid is C=CCN(CC=C)CCNCC(=O)O.
What is the InChIKey of 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid?
The InChIKey is HSZGMZSJCCGJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-6-12(7-4-2)8-5-11-9-10(13)14/h3-4,11H,1-2,5-9H2,(H,13,14).
What are the key properties of 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid?
2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid has a molecular weight of 198.27 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(prop-2-enyl)amino]ethylamino]acetic acid is sourced from PubChem (CID 87328651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).