2-[ethyl-(prop-2-enylamino)amino]acetic acid

C7H14N2O2 — CID 87106821

IUPAC2-[ethyl-(prop-2-enylamino)amino]acetic acid
SMILESC=CCNN(CC)CC(=O)O
InChIInChI=1S/C7H14N2O2/c1-3-5-8-9(4-2)6-7(10)11/h3,8H,1,4-6H2,2H3,(H,10,11)
InChIKeyWSYOJJRSNISUAE-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.08
Rot. Bonds6

About 2-[ethyl-(prop-2-enylamino)amino]acetic acid

2-[ethyl-(prop-2-enylamino)amino]acetic acid (PubChem CID 87106821) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[ethyl-(prop-2-enylamino)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(prop-2-enylamino)amino]acetic acid
PubChem CID87106821
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-[ethyl-(prop-2-enylamino)amino]acetic acid
SMILESC=CCNN(CC)CC(=O)O
InChIInChI=1S/C7H14N2O2/c1-3-5-8-9(4-2)6-7(10)11/h3,8H,1,4-6H2,2H3,(H,10,11)
InChIKeyWSYOJJRSNISUAE-UHFFFAOYSA-N
XLogP0.08
TPSA52.57 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 ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(prop-2-enylamino)amino]acetic acid?
The IUPAC name of 2-[ethyl-(prop-2-enylamino)amino]acetic acid (CID 87106821) is 2-[ethyl-(prop-2-enylamino)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(prop-2-enylamino)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(prop-2-enylamino)amino]acetic acid is C=CCNN(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl-(prop-2-enylamino)amino]acetic acid?
The InChIKey is WSYOJJRSNISUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-5-8-9(4-2)6-7(10)11/h3,8H,1,4-6H2,2H3,(H,10,11).
What are the key properties of 2-[ethyl-(prop-2-enylamino)amino]acetic acid?
2-[ethyl-(prop-2-enylamino)amino]acetic acid has a molecular weight of 158.20 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(prop-2-enylamino)amino]acetic acid is sourced from PubChem (CID 87106821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).