[(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate

C15H20N2O5 — CID 139614903

IUPAC[(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate
SMILESCC[C@H](C)OC(=O)CNC(=O)c1ccc(COC(C)=O)nc1
InChIInChI=1S/C15H20N2O5/c1-4-10(2)22-14(19)8-17-15(20)12-5-6-13(16-7-12)9-21-11(3)18/h5-7,10H,4,8-9H2,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyZWESFTUIPACGRR-JTQLQIEISA-N
MW308.33 g/mol
LogP1.22
Rot. Bonds7

About [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate

[(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate (PubChem CID 139614903) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Name[(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate
PubChem CID139614903
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate
SMILESCC[C@H](C)OC(=O)CNC(=O)c1ccc(COC(C)=O)nc1
InChIInChI=1S/C15H20N2O5/c1-4-10(2)22-14(19)8-17-15(20)12-5-6-13(16-7-12)9-21-11(3)18/h5-7,10H,4,8-9H2,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyZWESFTUIPACGRR-JTQLQIEISA-N
XLogP1.22
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate with MolForge

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Related Compounds

[5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate
CID 67866156
ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614932
nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614948
heptan-4-yl 2-[[2-(acetyloxymethyl)pyridine-4-carbonyl]amino]acetate
CID 139614934
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
[5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate
CID 67866040
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
CID 103486126
pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 43053311
1-[2-[2-[2-[[4-(diaminomethylideneamino)benzoyl]amino]acetyl]oxypropoxy]ethoxy]propan-2-yl 2-[[4-(diaminomethylideneamino)benzoyl]amino]acetate
CID 20641888
ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate
CID 158862567

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate?
The IUPAC name of [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate (CID 139614903) is [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate.
What is the SMILES notation for [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate?
The canonical SMILES for [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate is CC[C@H](C)OC(=O)CNC(=O)c1ccc(COC(C)=O)nc1.
What is the InChIKey of [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate?
The InChIKey is ZWESFTUIPACGRR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N2O5/c1-4-10(2)22-14(19)8-17-15(20)12-5-6-13(16-7-12)9-21-11(3)18/h5-7,10H,4,8-9H2,1-3H3,(H,17,20)/t10-/m0/s1.
What are the key properties of [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate?
[(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate has a molecular weight of 308.33 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 139614903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).