(2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide

C10H12N2O3 — CID 88879957

IUPAC(2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NC=O
InChIInChI=1S/C10H12N2O3/c11-9(10(15)12-6-13)5-7-1-3-8(14)4-2-7/h1-4,6,9,14H,5,11H2,(H,12,13,15)/t9-/m0/s1
InChIKeyVKJOPLBBGJKKRM-VIFPVBQESA-N
MW208.22 g/mol
LogP-0.47
Rot. Bonds4

About (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide (PubChem CID 88879957) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide
PubChem CID88879957
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NC=O
InChIInChI=1S/C10H12N2O3/c11-9(10(15)12-6-13)5-7-1-3-8(14)4-2-7/h1-4,6,9,14H,5,11H2,(H,12,13,15)/t9-/m0/s1
InChIKeyVKJOPLBBGJKKRM-VIFPVBQESA-N
XLogP-0.47
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 ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]propanamide
CID 90694268
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 18658342
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
2-amino-3-(4-hydroxyphenyl)-N-(1-methylcyclobutyl)propanamide
CID 114350759
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide (CID 88879957) is (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide is N[C@@H](Cc1ccc(O)cc1)C(=O)NC=O.
What is the InChIKey of (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VKJOPLBBGJKKRM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O3/c11-9(10(15)12-6-13)5-7-1-3-8(14)4-2-7/h1-4,6,9,14H,5,11H2,(H,12,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide has a molecular weight of 208.22 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 88879957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).