2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid

C10H12N2O3S — CID 107584595

IUPAC2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCc1cncc(NC(=O)CSCC(=O)O)c1
InChIInChI=1S/C10H12N2O3S/c1-7-2-8(4-11-3-7)12-9(13)5-16-6-10(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyXRLHFQXWGGAPRX-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 107584595) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID107584595
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCc1cncc(NC(=O)CSCC(=O)O)c1
InChIInChI=1S/C10H12N2O3S/c1-7-2-8(4-11-3-7)12-9(13)5-16-6-10(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyXRLHFQXWGGAPRX-UHFFFAOYSA-N
XLogP1.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]sulfanylacetic acid
CID 107587552
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
2-methoxy-N-(5-methyl-3-pyridinyl)acetamide
CID 103738953
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237534
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
4-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 82182534
2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107265702
2-[2-[4-(methoxycarbonylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569386
2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetic acid
CID 115569395
3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 107586068
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 107584595) is 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid is Cc1cncc(NC(=O)CSCC(=O)O)c1.
What is the InChIKey of 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is XRLHFQXWGGAPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-7-2-8(4-11-3-7)12-9(13)5-16-6-10(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 240.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 107584595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).