N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid

C10H19NO5 — CID 87132672

IUPACN-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid
SMILESC=CC(=O)NCCC(C)O.CC(O)C(=O)O
InChIInChI=1S/C7H13NO2.C3H6O3/c1-3-7(10)8-5-4-6(2)9;1-2(4)3(5)6/h3,6,9H,1,4-5H2,2H3,(H,8,10);2,4H,1H3,(H,5,6)
InChIKeyVCGWEBDTKZUNBZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.49
Rot. Bonds5

About N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid

N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid (PubChem CID 87132672) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid.

Molecular Properties

Compound NameN-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid
PubChem CID87132672
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid
SMILESC=CC(=O)NCCC(C)O.CC(O)C(=O)O
InChIInChI=1S/C7H13NO2.C3H6O3/c1-3-7(10)8-5-4-6(2)9;1-2(4)3(5)6/h3,6,9H,1,4-5H2,2H3,(H,8,10);2,4H,1H3,(H,5,6)
InChIKeyVCGWEBDTKZUNBZ-UHFFFAOYSA-N
XLogP-0.49
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.49
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-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid?
The IUPAC name of N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid (CID 87132672) is N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid.
What is the SMILES notation for N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid?
The canonical SMILES for N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid is C=CC(=O)NCCC(C)O.CC(O)C(=O)O.
What is the InChIKey of N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid?
The InChIKey is VCGWEBDTKZUNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C3H6O3/c1-3-7(10)8-5-4-6(2)9;1-2(4)3(5)6/h3,6,9H,1,4-5H2,2H3,(H,8,10);2,4H,1H3,(H,5,6).
What are the key properties of N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid?
N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid has a molecular weight of 233.26 g/mol, XLogP of -0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)prop-2-enamide;2-hydroxypropanoic acid is sourced from PubChem (CID 87132672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).