2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid

C10H15NO5 — CID 87689005

IUPAC2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid
SMILESC=C(O)CN(CC(O)C(=O)O)C(=O)C(=C)C
InChIInChI=1S/C10H15NO5/c1-6(2)9(14)11(4-7(3)12)5-8(13)10(15)16/h8,12-13H,1,3-5H2,2H3,(H,15,16)
InChIKeyRBOQBDCOINTIJK-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.09
Rot. Bonds6

About 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid

2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid (PubChem CID 87689005) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid
PubChem CID87689005
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid
SMILESC=C(O)CN(CC(O)C(=O)O)C(=O)C(=C)C
InChIInChI=1S/C10H15NO5/c1-6(2)9(14)11(4-7(3)12)5-8(13)10(15)16/h8,12-13H,1,3-5H2,2H3,(H,15,16)
InChIKeyRBOQBDCOINTIJK-UHFFFAOYSA-N
XLogP-0.09
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid (CID 87689005) is 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid is C=C(O)CN(CC(O)C(=O)O)C(=O)C(=C)C.
What is the InChIKey of 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid?
The InChIKey is RBOQBDCOINTIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-6(2)9(14)11(4-7(3)12)5-8(13)10(15)16/h8,12-13H,1,3-5H2,2H3,(H,15,16).
What are the key properties of 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid?
2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid has a molecular weight of 229.23 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-hydroxyprop-2-enyl(2-methylprop-2-enoyl)amino]propanoic acid is sourced from PubChem (CID 87689005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).