methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate

C16H25N5O5 — CID 141256879

IUPACmethyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](N=[N+]=[N-])[C@@H](NC(C)=O)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)O1
InChIInChI=1S/C16H25N5O5/c1-9-6-21(7-10(2)25-9)8-14-15(18-11(3)22)12(19-20-17)5-13(26-14)16(23)24-4/h5,9-10,12,14-15H,6-8H2,1-4H3,(H,18,22)/t9-,10+,12-,14-,15+/m0/s1
InChIKeyMMHPUVFNGJBFAG-VZBCLDGYSA-N
MW367.41 g/mol
LogP0.73
Rot. Bonds5

About methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 141256879) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID141256879
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC Namemethyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](N=[N+]=[N-])[C@@H](NC(C)=O)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)O1
InChIInChI=1S/C16H25N5O5/c1-9-6-21(7-10(2)25-9)8-14-15(18-11(3)22)12(19-20-17)5-13(26-14)16(23)24-4/h5,9-10,12,14-15H,6-8H2,1-4H3,(H,18,22)/t9-,10+,12-,14-,15+/m0/s1
InChIKeyMMHPUVFNGJBFAG-VZBCLDGYSA-N
XLogP0.73
TPSA125.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-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

(4S,5R,6R)-4-azido-6-(dipropylcarbamoyl)-5-(2,2,2-trifluoroacetylamino)-5,6-dihydro-4H-pyran-2-carboxylic acid, methyl ester
CID 86754852
(4S,5R,6R)-4-amino-6-(dipropylcarbamoyl)-5-(2,2,2-trifluoroacetylamino)-5,6-dihydro-4H-pyran-2-carboxylic acid, methyl ester
CID 86754853
(2,2,2-trifluoroacetyl) (2R,3R,4S)-3-acetamido-4-amino-2-[butyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 88206492
(2,2,2-trifluoroacetyl) (2R,3R,4S)-3-acetamido-4-amino-2-(dibutylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 88207866
(2,2,2-trifluoroacetyl) (2R,3R,4S)-3-acetamido-4-amino-2-(dipropylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 88208400
(2,2,2-trifluoroacetyl) (2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 88289247
(2,2,2-trifluoroacetyl) (2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propan-2-yl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 88289983
methyl (2R,3R,4S)-3-acetamido-4-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 101496458
propan-2-yl (2S,3R,4S)-3-acetamido-4-azido-2-(2-ethylbutyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 134943865
methyl (2R,3R)-4-azido-2-(dipropylcarbamoyl)-3-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-6-carboxylate
CID 171927147
(2S,3R,4S)-3-acetamido-4-amino-2-[[ethyl(methyl)amino]methyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 25225255
(2S,3R,4S)-3-acetamido-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 25225256

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate (CID 141256879) is methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@H](N=[N+]=[N-])[C@@H](NC(C)=O)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)O1.
What is the InChIKey of methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is MMHPUVFNGJBFAG-VZBCLDGYSA-N. The full InChI is InChI=1S/C16H25N5O5/c1-9-6-21(7-10(2)25-9)8-14-15(18-11(3)22)12(19-20-17)5-13(26-14)16(23)24-4/h5,9-10,12,14-15H,6-8H2,1-4H3,(H,18,22)/t9-,10+,12-,14-,15+/m0/s1.
What are the key properties of methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4S)-3-acetamido-4-azido-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 141256879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).