(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

C10H12N2O3 — CID 135688184

IUPAC(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESC[C@H](O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H12N2O3/c1-7(13)10(15)12-11-6-8-4-2-3-5-9(8)14/h2-7,13-14H,1H3,(H,12,15)/b11-6+/t7-/m0/s1
InChIKeyJKJSVLVSWJLFCG-KEXZDQNZSA-N
MW208.22 g/mol
LogP0.22
Rot. Bonds3

About (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 135688184) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
PubChem CID135688184
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESC[C@H](O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H12N2O3/c1-7(13)10(15)12-11-6-8-4-2-3-5-9(8)14/h2-7,13-14H,1H3,(H,12,15)/b11-6+/t7-/m0/s1
InChIKeyJKJSVLVSWJLFCG-KEXZDQNZSA-N
XLogP0.22
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[[(2S)-2-hydroxypropanoyl]hydrazinylidene]methyl]benzoic acid
CID 5403628
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136705939
2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135782013
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 137065289
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 135531764
(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexanamide
CID 136810471
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135400268
(2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135764403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (CID 135688184) is (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is C[C@H](O)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is JKJSVLVSWJLFCG-KEXZDQNZSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(13)10(15)12-11-6-8-4-2-3-5-9(8)14/h2-7,13-14H,1H3,(H,12,15)/b11-6+/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 208.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135688184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).