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

C9H15NO5 — CID 88898450

IUPAC2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid
SMILESC=C(C)C(=O)N(CCO)CC(O)C(=O)O
InChIInChI=1S/C9H15NO5/c1-6(2)8(13)10(3-4-11)5-7(12)9(14)15/h7,11-12H,1,3-5H2,2H3,(H,14,15)
InChIKeyFENDTWYUWMEGPN-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.17
Rot. Bonds6

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

2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid (PubChem CID 88898450) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid
PubChem CID88898450
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid
SMILESC=C(C)C(=O)N(CCO)CC(O)C(=O)O
InChIInChI=1S/C9H15NO5/c1-6(2)8(13)10(3-4-11)5-7(12)9(14)15/h7,11-12H,1,3-5H2,2H3,(H,14,15)
InChIKeyFENDTWYUWMEGPN-UHFFFAOYSA-N
XLogP-1.17
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
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 2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid (CID 88898450) is 2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid is C=C(C)C(=O)N(CCO)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid?
The InChIKey is FENDTWYUWMEGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-6(2)8(13)10(3-4-11)5-7(12)9(14)15/h7,11-12H,1,3-5H2,2H3,(H,14,15).
What are the key properties of 2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid?
2-hydroxy-3-[2-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid has a molecular weight of 217.22 g/mol, XLogP of -1.17, 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-hydroxyethyl(2-methylprop-2-enoyl)amino]propanoic acid is sourced from PubChem (CID 88898450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).