methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate

C15H25NO6 — CID 71483577

IUPACmethyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCC(CC)O[C@@H]1OC(C(=O)OC)=C[C@H](OC)[C@H]1NC(C)=O
InChIInChI=1S/C15H25NO6/c1-6-10(7-2)21-15-13(16-9(3)17)11(19-4)8-12(22-15)14(18)20-5/h8,10-11,13,15H,6-7H2,1-5H3,(H,16,17)/t11-,13+,15+/m0/s1
InChIKeyNKYODLZXPCPDAK-NJZAAPMLSA-N
MW315.37 g/mol
LogP1.12
Rot. Bonds7

About methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 71483577) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID71483577
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Namemethyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCC(CC)O[C@@H]1OC(C(=O)OC)=C[C@H](OC)[C@H]1NC(C)=O
InChIInChI=1S/C15H25NO6/c1-6-10(7-2)21-15-13(16-9(3)17)11(19-4)8-12(22-15)14(18)20-5/h8,10-11,13,15H,6-7H2,1-5H3,(H,16,17)/t11-,13+,15+/m0/s1
InChIKeyNKYODLZXPCPDAK-NJZAAPMLSA-N
XLogP1.12
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-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

Pentan-3-Yl 2-(Acetylamino)-2,4-Dideoxy-Alpha-L-Threo-Hex-4-Enopyranosiduronic Acid
CID 11380651
(2R,3R,4S)-3-acetamido-4-amino-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 15507904
6-(3-Hydroxypropoxy)-5-Acetamido-5,6-Dihydro-4-Hydroxy-4h-Pyran-2-Carboxylic Acid
CID 49867130
5-Acetamido-5,6-dihydro-4-hydroxy-6-isobutoxy-4H-pyran-2-carboxylic acid
CID 46937111
3-acetamido-4-hydroxy-2-propan-2-yloxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 44305232
(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
(2S,3R,4R)-3-acetamido-4-hydroxy-2-isobutoxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 46884631
(2S,3R,4R)-3-acetamido-4-hydroxy-2-(3-hydroxypropoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 46884632
(2S,3R,4R)-3-acetamido-2-(2,3-dihydroxypropoxy)-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 46884633
[(2S,6S)-4-acetyloxy-5-oxo-6-[2-oxo-2-(prop-2-ynylamino)ethoxy]-2H-pyran-2-yl]methyl acetate
CID 53317535
(2R,3R,4S)-3-acetamido-2-pentan-3-yloxy-4-prop-2-enoxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 71449836

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate (CID 71483577) is methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate is CCC(CC)O[C@@H]1OC(C(=O)OC)=C[C@H](OC)[C@H]1NC(C)=O.
What is the InChIKey of methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is NKYODLZXPCPDAK-NJZAAPMLSA-N. The full InChI is InChI=1S/C15H25NO6/c1-6-10(7-2)21-15-13(16-9(3)17)11(19-4)8-12(22-15)14(18)20-5/h8,10-11,13,15H,6-7H2,1-5H3,(H,16,17)/t11-,13+,15+/m0/s1.
What are the key properties of methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,4S)-3-acetamido-4-methoxy-2-pentan-3-yloxy-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 71483577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).