methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate

C10H14N2O2S — CID 61318239

IUPACmethyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
SMILESCOC(=O)CC(C)Sc1ccc(N)cn1
InChIInChI=1S/C10H14N2O2S/c1-7(5-10(13)14-2)15-9-4-3-8(11)6-12-9/h3-4,6-7H,5,11H2,1-2H3
InChIKeyLVOJJXGDCSLCOD-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.71
Rot. Bonds4

About methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate

methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate (PubChem CID 61318239) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
PubChem CID61318239
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
SMILESCOC(=O)CC(C)Sc1ccc(N)cn1
InChIInChI=1S/C10H14N2O2S/c1-7(5-10(13)14-2)15-9-4-3-8(11)6-12-9/h3-4,6-7H,5,11H2,1-2H3
InChIKeyLVOJJXGDCSLCOD-UHFFFAOYSA-N
XLogP1.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate
CID 171895049
methyl 3-(5,6-dimethylpyrazin-2-yl)sulfanylbutanoate
CID 114474956
methyl 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]butanoate
CID 120618929
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61318641
3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
CID 63590276
methyl 3-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]butanoate
CID 112645747
methyl 3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)butanoate
CID 78967002
methyl 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanyl]butanoate
CID 114574111
methyl 3-[(6-oxo-1H-pyrimidin-4-yl)sulfanyl]butanoate
CID 114574109
methyl 3-[(6-acetyl-3-pyridinyl)sulfanyl]butanoate
CID 83118718
methyl 3-phenylsulfanylbutanoate
CID 10750953

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate?
The IUPAC name of methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate (CID 61318239) is methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate.
What is the SMILES notation for methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate?
The canonical SMILES for methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate is COC(=O)CC(C)Sc1ccc(N)cn1.
What is the InChIKey of methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate?
The InChIKey is LVOJJXGDCSLCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(5-10(13)14-2)15-9-4-3-8(11)6-12-9/h3-4,6-7H,5,11H2,1-2H3.
What are the key properties of methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate?
methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate has a molecular weight of 226.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate is sourced from PubChem (CID 61318239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).