N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid

C8H15NO5 — CID 87097475

IUPACN-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid
SMILESC=CC(=O)NCCO.CC(O)C(=O)O
InChIInChI=1S/C5H9NO2.C3H6O3/c1-2-5(8)6-3-4-7;1-2(4)3(5)6/h2,7H,1,3-4H2,(H,6,8);2,4H,1H3,(H,5,6)
InChIKeyLUOQPAVFZLLKOT-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.27
Rot. Bonds4

About N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid

N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid (PubChem CID 87097475) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid.

Molecular Properties

Compound NameN-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid
PubChem CID87097475
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid
SMILESC=CC(=O)NCCO.CC(O)C(=O)O
InChIInChI=1S/C5H9NO2.C3H6O3/c1-2-5(8)6-3-4-7;1-2(4)3(5)6/h2,7H,1,3-4H2,(H,6,8);2,4H,1H3,(H,5,6)
InChIKeyLUOQPAVFZLLKOT-UHFFFAOYSA-N
XLogP-1.27
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid?
The IUPAC name of N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid (CID 87097475) is N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid.
What is the SMILES notation for N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid?
The canonical SMILES for N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid is C=CC(=O)NCCO.CC(O)C(=O)O.
What is the InChIKey of N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid?
The InChIKey is LUOQPAVFZLLKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C3H6O3/c1-2-5(8)6-3-4-7;1-2(4)3(5)6/h2,7H,1,3-4H2,(H,6,8);2,4H,1H3,(H,5,6).
What are the key properties of N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid?
N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid has a molecular weight of 205.21 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)prop-2-enamide;2-hydroxypropanoic acid is sourced from PubChem (CID 87097475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).