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

C7H13NO3 — CID 78967532

IUPAC2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCO)CC(=O)O
InChIInChI=1S/C7H13NO3/c1-2-3-8(4-5-9)6-7(10)11/h2,9H,1,3-6H2,(H,10,11)
InChIKeyXTKJFECUODQCAU-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.45
Rot. Bonds6

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

2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid (PubChem CID 78967532) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid
PubChem CID78967532
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCO)CC(=O)O
InChIInChI=1S/C7H13NO3/c1-2-3-8(4-5-9)6-7(10)11/h2,9H,1,3-6H2,(H,10,11)
InChIKeyXTKJFECUODQCAU-UHFFFAOYSA-N
XLogP-0.45
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.45
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-hydroxyethyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid (CID 78967532) is 2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid is C=CCN(CCO)CC(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid?
The InChIKey is XTKJFECUODQCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-3-8(4-5-9)6-7(10)11/h2,9H,1,3-6H2,(H,10,11).
What are the key properties of 2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid?
2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid has a molecular weight of 159.19 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 78967532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).