methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate

C10H13NO4 — CID 11321791

IUPACmethyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=C[C@H]1COC(C)=O
InChIInChI=1S/C10H13NO4/c1-8(12)15-7-9-5-3-4-6-11(9)10(13)14-2/h3-6,9H,7H2,1-2H3/t9-/m0/s1
InChIKeyVOCUNBYYBQCEHI-VIFPVBQESA-N
MW211.22 g/mol
LogP1.07
Rot. Bonds2

About methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate

methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate (PubChem CID 11321791) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate
PubChem CID11321791
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=C[C@H]1COC(C)=O
InChIInChI=1S/C10H13NO4/c1-8(12)15-7-9-5-3-4-6-11(9)10(13)14-2/h3-6,9H,7H2,1-2H3/t9-/m0/s1
InChIKeyVOCUNBYYBQCEHI-VIFPVBQESA-N
XLogP1.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-methylpicolinate
CID 129791326
ethenyl 2-methyl-2H-pyridine-1-carboxylate
CID 134986100
methyl 3-acetyloxy-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382562
ethyl 2-methyl-2H-pyridine-1-carboxylate
CID 12955680
(2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid
CID 69080015
1-O-tert-butyl 2-O-ethyl 2H-pyridine-1,2-dicarboxylate
CID 69182933
1-O-tert-butyl 2-O-methyl 2H-pyridine-1,2-dicarboxylate
CID 141172463
ethyl 1-methyl-2H-pyridine-2-carboxylate
CID 163421057
2-(2-methyl-2H-pyridin-1-yl)ethyl acetate
CID 172786988
ditert-butyl 2H-pyridine-1,2-dicarboxylate
CID 172856453
ethyl 2-(2-methyl-2H-pyridin-1-yl)acetate
CID 418256
propan-2-yl 1-methyl-2H-pyridine-2-carboxylate
CID 11579225

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate?
The IUPAC name of methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate (CID 11321791) is methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate is COC(=O)N1C=CC=C[C@H]1COC(C)=O.
What is the InChIKey of methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate?
The InChIKey is VOCUNBYYBQCEHI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO4/c1-8(12)15-7-9-5-3-4-6-11(9)10(13)14-2/h3-6,9H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate?
methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11321791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).