2-amino-N-(4-formylphenyl)-3-hydroxypropanamide

C10H12N2O3 — CID 143188346

IUPAC2-amino-N-(4-formylphenyl)-3-hydroxypropanamide
SMILESNC(CO)C(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C10H12N2O3/c11-9(6-14)10(15)12-8-3-1-7(5-13)2-4-8/h1-5,9,14H,6,11H2,(H,12,15)
InChIKeyOVXJSJIRGCFVHQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.24
Rot. Bonds4

About 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide

2-amino-N-(4-formylphenyl)-3-hydroxypropanamide (PubChem CID 143188346) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-(4-formylphenyl)-3-hydroxypropanamide
PubChem CID143188346
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-amino-N-(4-formylphenyl)-3-hydroxypropanamide
SMILESNC(CO)C(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C10H12N2O3/c11-9(6-14)10(15)12-8-3-1-7(5-13)2-4-8/h1-5,9,14H,6,11H2,(H,12,15)
InChIKeyOVXJSJIRGCFVHQ-UHFFFAOYSA-N
XLogP-0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride
CID 67615409
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
N-(4-formylphenyl)-2-phenylpropanamide
CID 87347129
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
(E)-3-[4-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]prop-2-enoic acid
CID 115342327
(E)-3-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]prop-2-enoic acid
CID 104903835
N-(4-formylphenyl)butanamide
CID 14471017
N-(4-formylphenyl)but-3-enamide
CID 142510252
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
2-amino-N-[4-[(E)-3-oxoprop-1-enyl]phenyl]propanamide;butane
CID 143093741
(2S)-6-amino-2-(2,3-dimethylbutanoylamino)-N-(4-formylphenyl)hexanamide
CID 163276472
(5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide
CID 134519915

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide (CID 143188346) is 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide is NC(CO)C(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide?
The InChIKey is OVXJSJIRGCFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-9(6-14)10(15)12-8-3-1-7(5-13)2-4-8/h1-5,9,14H,6,11H2,(H,12,15).
What are the key properties of 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide?
2-amino-N-(4-formylphenyl)-3-hydroxypropanamide has a molecular weight of 208.22 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-formylphenyl)-3-hydroxypropanamide is sourced from PubChem (CID 143188346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).