methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate

C9H13NO4 — CID 142122453

IUPACmethyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CCC(NC(C)=O)CO1
InChIInChI=1S/C9H13NO4/c1-6(11)10-7-3-4-8(14-5-7)9(12)13-2/h4,7H,3,5H2,1-2H3,(H,10,11)
InChIKeySRKOWGDAOGDELR-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.03
Rot. Bonds2

About methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate

methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 142122453) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID142122453
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CCC(NC(C)=O)CO1
InChIInChI=1S/C9H13NO4/c1-6(11)10-7-3-4-8(14-5-7)9(12)13-2/h4,7H,3,5H2,1-2H3,(H,10,11)
InChIKeySRKOWGDAOGDELR-UHFFFAOYSA-N
XLogP-0.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-3-acetamido-4-acetyloxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 71451647
(2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 71458845
(2R,3R,4S)-3-acetamido-4-ethoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 71456980
3-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 140985246
methyl 3-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-6-carboxylate
CID 140985252
ethyl (Z)-6-acetamido-2-acetyloxyhex-2-enoate
CID 20347198
Ethyl 6-acetamido-2-acetyloxyhex-2-enoate
CID 54101113
Methyl 6-(2-aminoethylcarbamoyl)-5-butoxy-4-oxopyran-2-carboxylate
CID 89390570
methyl (2S,3R,4S)-3-acetamido-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 141256878
Ethyl 2-[(2-ethyl-5-oxo-1,2-dihydropyrrol-3-yl)oxy]acetate
CID 142849264
ethane;5-[(2E)-hepta-2,6-dienoxy]-2-methyl-2,3-dihydro-1H-pyridin-6-one
CID 144245089
methyl 4-acetamido-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 323891

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate (CID 142122453) is methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=CCC(NC(C)=O)CO1.
What is the InChIKey of methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is SRKOWGDAOGDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-6(11)10-7-3-4-8(14-5-7)9(12)13-2/h4,7H,3,5H2,1-2H3,(H,10,11).
What are the key properties of methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate?
methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 199.21 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 142122453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).