2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid

C8H8N2O3S — CID 24707226

IUPAC2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid
SMILESNC(=O)c1cccnc1SCC(=O)O
InChIInChI=1S/C8H8N2O3S/c9-7(13)5-2-1-3-10-8(5)14-4-6(11)12/h1-3H,4H2,(H2,9,13)(H,11,12)
InChIKeyMMEZGTJJDAPPBS-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.36
Rot. Bonds4

About 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid

2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid (PubChem CID 24707226) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid
PubChem CID24707226
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid
SMILESNC(=O)c1cccnc1SCC(=O)O
InChIInChI=1S/C8H8N2O3S/c9-7(13)5-2-1-3-10-8(5)14-4-6(11)12/h1-3H,4H2,(H2,9,13)(H,11,12)
InChIKeyMMEZGTJJDAPPBS-UHFFFAOYSA-N
XLogP0.36
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-carbamimidoyl-2-pyridinyl)sulfanyl]acetic acid
CID 82240600
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
methyl 3-[(3-carbamoyl-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 66112894
2-(3-aminopyrazin-2-yl)sulfanylacetic acid
CID 106677989
2-(2-aminoethylsulfanyl)pyridine-3-carboxylic acid;hydrochloride
CID 70452935
2-[(3-pyridin-4-ylsulfanyl-2-pyridinyl)sulfanyl]acetic acid
CID 141192059
2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide
CID 39997996
2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 746135
2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
CID 80700083
2-[(E)-4-(1-aminoethenylimino)-2-methylbut-2-enyl]sulfanylpyridine-3-carboxylic acid
CID 147958799
2-[2-[(3-carbamoyl-2-pyridinyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 29269387

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid?
The IUPAC name of 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid (CID 24707226) is 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid is NC(=O)c1cccnc1SCC(=O)O.
What is the InChIKey of 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid?
The InChIKey is MMEZGTJJDAPPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c9-7(13)5-2-1-3-10-8(5)14-4-6(11)12/h1-3H,4H2,(H2,9,13)(H,11,12).
What are the key properties of 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid?
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid has a molecular weight of 212.23 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid is sourced from PubChem (CID 24707226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).