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

C7H14N2O2 — CID 79276204

IUPAC2-[2-aminoethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCN)CC(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-4-9(5-3-8)6-7(10)11/h2H,1,3-6,8H2,(H,10,11)
InChIKeyQQPYBSDTVNNCIU-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.48
Rot. Bonds6

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

2-[2-aminoethyl(prop-2-enyl)amino]acetic acid (PubChem CID 79276204) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-aminoethyl(prop-2-enyl)amino]acetic acid
PubChem CID79276204
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-[2-aminoethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCN)CC(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-4-9(5-3-8)6-7(10)11/h2H,1,3-6,8H2,(H,10,11)
InChIKeyQQPYBSDTVNNCIU-UHFFFAOYSA-N
XLogP-0.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid (CID 79276204) is 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid is C=CCN(CCN)CC(=O)O.
What is the InChIKey of 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid?
The InChIKey is QQPYBSDTVNNCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-4-9(5-3-8)6-7(10)11/h2H,1,3-6,8H2,(H,10,11).
What are the key properties of 2-[2-aminoethyl(prop-2-enyl)amino]acetic acid?
2-[2-aminoethyl(prop-2-enyl)amino]acetic acid has a molecular weight of 158.20 g/mol, XLogP of -0.48, 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 is sourced from PubChem (CID 79276204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).