(2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide

C11H14N2O3 — CID 135977524

IUPAC(2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)/N=C/c1ccc(O)cc1
InChIInChI=1S/C11H14N2O3/c1-12-11(16)10(7-14)13-6-8-2-4-9(15)5-3-8/h2-6,10,14-15H,7H2,1H3,(H,12,16)/b13-6+/t10-/m0/s1
InChIKeyLEAFNIDLUROXIK-FYTLYHSASA-N
MW222.24 g/mol
LogP-0.08
Rot. Bonds4

About (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide

(2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide (PubChem CID 135977524) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide
PubChem CID135977524
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)/N=C/c1ccc(O)cc1
InChIInChI=1S/C11H14N2O3/c1-12-11(16)10(7-14)13-6-8-2-4-9(15)5-3-8/h2-6,10,14-15H,7H2,1H3,(H,12,16)/b13-6+/t10-/m0/s1
InChIKeyLEAFNIDLUROXIK-FYTLYHSASA-N
XLogP-0.08
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide?
The IUPAC name of (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide (CID 135977524) is (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide is CNC(=O)[C@H](CO)/N=C/c1ccc(O)cc1.
What is the InChIKey of (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide?
The InChIKey is LEAFNIDLUROXIK-FYTLYHSASA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-11(16)10(7-14)13-6-8-2-4-9(15)5-3-8/h2-6,10,14-15H,7H2,1H3,(H,12,16)/b13-6+/t10-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide?
(2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide has a molecular weight of 222.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide is sourced from PubChem (CID 135977524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).