2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid

C11H14N2O3S — CID 104570205

IUPAC2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid
SMILESC[C@H](NC(=O)CSCC(=O)O)c1ccccn1
InChIInChI=1S/C11H14N2O3S/c1-8(9-4-2-3-5-12-9)13-10(14)6-17-7-11(15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyFFAOBEUUQAKEIJ-QMMMGPOBSA-N
MW254.31 g/mol
LogP1.08
Rot. Bonds6

About 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid

2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid (PubChem CID 104570205) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid
PubChem CID104570205
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid
SMILESC[C@H](NC(=O)CSCC(=O)O)c1ccccn1
InChIInChI=1S/C11H14N2O3S/c1-8(9-4-2-3-5-12-9)13-10(14)6-17-7-11(15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyFFAOBEUUQAKEIJ-QMMMGPOBSA-N
XLogP1.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid with MolForge

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Related Compounds

4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 35938252
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid (CID 104570205) is 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid is C[C@H](NC(=O)CSCC(=O)O)c1ccccn1.
What is the InChIKey of 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid?
The InChIKey is FFAOBEUUQAKEIJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8(9-4-2-3-5-12-9)13-10(14)6-17-7-11(15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid?
2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid has a molecular weight of 254.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid is sourced from PubChem (CID 104570205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).