2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide

C13H18N2O3S — CID 106164880

IUPAC2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide
SMILESNC(=O)C(O)CNC(=O)CSCCc1ccccc1
InChIInChI=1S/C13H18N2O3S/c14-13(18)11(16)8-15-12(17)9-19-7-6-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,14,18)(H,15,17)
InChIKeyQBSJQPZUOAQNHS-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.08
Rot. Bonds8

About 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide

2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide (PubChem CID 106164880) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide
PubChem CID106164880
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide
SMILESNC(=O)C(O)CNC(=O)CSCCc1ccccc1
InChIInChI=1S/C13H18N2O3S/c14-13(18)11(16)8-15-12(17)9-19-7-6-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,14,18)(H,15,17)
InChIKeyQBSJQPZUOAQNHS-UHFFFAOYSA-N
XLogP-0.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103769898
N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 65031542
N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103771004
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
3-hydroxy-3-methyl-4-[[2-(2-phenylethylsulfanyl)acetyl]amino]butanoic acid
CID 66001112
methyl 3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanoate
CID 60715884
N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142
2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
CID 106164287
(2S)-2-hydroxy-3-(4-phenylbutanoylamino)propanoic acid
CID 114006473
2-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569219
3-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid
CID 43091329
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
CID 106165984

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide (CID 106164880) is 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide is NC(=O)C(O)CNC(=O)CSCCc1ccccc1.
What is the InChIKey of 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide?
The InChIKey is QBSJQPZUOAQNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-13(18)11(16)8-15-12(17)9-19-7-6-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,14,18)(H,15,17).
What are the key properties of 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide?
2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide has a molecular weight of 282.37 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide is sourced from PubChem (CID 106164880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).