(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid

C10H14N2O3S — CID 82897240

IUPAC(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
SMILESN[C@@H](CSCCn1ccccc1=O)C(=O)O
InChIInChI=1S/C10H14N2O3S/c11-8(10(14)15)7-16-6-5-12-4-2-1-3-9(12)13/h1-4,8H,5-7,11H2,(H,14,15)/t8-/m0/s1
InChIKeyANDSWXHEPAFPBK-QMMMGPOBSA-N
MW242.30 g/mol
LogP-0.01
Rot. Bonds6

About (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid

(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid (PubChem CID 82897240) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
PubChem CID82897240
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
SMILESN[C@@H](CSCCn1ccccc1=O)C(=O)O
InChIInChI=1S/C10H14N2O3S/c11-8(10(14)15)7-16-6-5-12-4-2-1-3-9(12)13/h1-4,8H,5-7,11H2,(H,14,15)/t8-/m0/s1
InChIKeyANDSWXHEPAFPBK-QMMMGPOBSA-N
XLogP-0.01
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
CID 82897328
2-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]acetic acid
CID 82897271
2-formamido-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
CID 82897406
1-[2-(3-amino-2-methylpropyl)sulfanylethyl]pyridin-2-one
CID 82896561
(2S)-2-amino-3-methyl-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]butanoic acid
CID 114189281
2-amino-3-(2-pyrazol-1-ylethylsulfanyl)propanoic acid
CID 61492079
(2S)-2-amino-3-(2-phenylsulfanylethylsulfanyl)propanoic acid
CID 107773078
1-(3-amino-4-hydroxybutyl)pyridin-2-one
CID 82907436
2-amino-3-(4-phenylbutylsulfanyl)propanoic acid
CID 114333733
4-methylsulfanyl-2-[5-(2-oxo-1-pyridinyl)pentanoylamino]butanoic acid
CID 82031433
2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 60773689
(2S)-4-methylsulfanyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 61152547

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid (CID 82897240) is (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid is N[C@@H](CSCCn1ccccc1=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid?
The InChIKey is ANDSWXHEPAFPBK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-8(10(14)15)7-16-6-5-12-4-2-1-3-9(12)13/h1-4,8H,5-7,11H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid?
(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid has a molecular weight of 242.30 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid is sourced from PubChem (CID 82897240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).