2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid

C7H13NO3 — CID 87065186

IUPAC2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(C)O
InChIInChI=1S/C7H13NO3/c1-3-4-8(6(2)9)5-7(10)11/h3,6,9H,1,4-5H2,2H3,(H,10,11)
InChIKeyOJQSUBBLDZLONU-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.10
Rot. Bonds5

About 2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid

2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid (PubChem CID 87065186) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid
PubChem CID87065186
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(C)O
InChIInChI=1S/C7H13NO3/c1-3-4-8(6(2)9)5-7(10)11/h3,6,9H,1,4-5H2,2H3,(H,10,11)
InChIKeyOJQSUBBLDZLONU-UHFFFAOYSA-N
XLogP-0.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-hydroxyethyl(prop-2-enyl)amino]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-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid (CID 87065186) is 2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(C)O.
What is the InChIKey of 2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid?
The InChIKey is OJQSUBBLDZLONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-4-8(6(2)9)5-7(10)11/h3,6,9H,1,4-5H2,2H3,(H,10,11).
What are the key properties of 2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid?
2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid has a molecular weight of 159.19 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxyethyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 87065186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).