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

C7H14N2O2 — CID 87106823

IUPAC2-[2-(prop-2-enylamino)ethylamino]acetic acid
SMILESC=CCNCCNCC(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-3-8-4-5-9-6-7(10)11/h2,8-9H,1,3-6H2,(H,10,11)
InChIKeyNJVNBYLLBBZVAI-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.56
Rot. Bonds7

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

2-[2-(prop-2-enylamino)ethylamino]acetic acid (PubChem CID 87106823) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[2-(prop-2-enylamino)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(prop-2-enylamino)ethylamino]acetic acid
PubChem CID87106823
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-[2-(prop-2-enylamino)ethylamino]acetic acid
SMILESC=CCNCCNCC(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-3-8-4-5-9-6-7(10)11/h2,8-9H,1,3-6H2,(H,10,11)
InChIKeyNJVNBYLLBBZVAI-UHFFFAOYSA-N
XLogP-0.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.56
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?
The IUPAC name of 2-[2-(prop-2-enylamino)ethylamino]acetic acid (CID 87106823) is 2-[2-(prop-2-enylamino)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(prop-2-enylamino)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(prop-2-enylamino)ethylamino]acetic acid is C=CCNCCNCC(=O)O.
What is the InChIKey of 2-[2-(prop-2-enylamino)ethylamino]acetic acid?
The InChIKey is NJVNBYLLBBZVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-8-4-5-9-6-7(10)11/h2,8-9H,1,3-6H2,(H,10,11).
What are the key properties of 2-[2-(prop-2-enylamino)ethylamino]acetic acid?
2-[2-(prop-2-enylamino)ethylamino]acetic acid has a molecular weight of 158.20 g/mol, XLogP of -0.56, 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 is sourced from PubChem (CID 87106823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).