methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate

C15H24N4O8 — CID 102454089

IUPACmethyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H]([C@H](O)[C@H](O)CN=[N+]=[N-])O1
InChIInChI=1S/C15H24N4O8/c1-15(2,3)27-14(24)18-10-7(20)5-9(13(23)25-4)26-12(10)11(22)8(21)6-17-19-16/h5,7-8,10-12,20-22H,6H2,1-4H3,(H,18,24)/t7-,8+,10+,11+,12+/m0/s1
InChIKeyFTZQWZSAUIQSMH-RULNCXCMSA-N
MW388.38 g/mol
LogP-0.27
Rot. Bonds6

About methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 102454089) has the molecular formula C15H24N4O8 and a molecular weight of 388.38 g/mol. Its IUPAC name is methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID102454089
Molecular FormulaC15H24N4O8
Molecular Weight388.38 g/mol
Exact Mass388.16
IUPAC Namemethyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H]([C@H](O)[C@H](O)CN=[N+]=[N-])O1
InChIInChI=1S/C15H24N4O8/c1-15(2,3)27-14(24)18-10-7(20)5-9(13(23)25-4)26-12(10)11(22)8(21)6-17-19-16/h5,7-8,10-12,20-22H,6H2,1-4H3,(H,18,24)/t7-,8+,10+,11+,12+/m0/s1
InChIKeyFTZQWZSAUIQSMH-RULNCXCMSA-N
XLogP-0.27
TPSA183.31 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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 (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-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

methyl 3-acetamido-4-hydroxy-2-[(2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 139026026
methyl 6-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-2-(4-methylphenyl)sulfanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylate
CID 176889551
methyl 6-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-prop-2-enyloxane-2-carboxylate
CID 176889602
methyl 6-[(1S,2S)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-prop-2-enyloxane-2-carboxylate
CID 176889528
methyl (2R,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 161098517
[(2R,3R,4S)-2-[(1S,2S)-3-cyano-1,2-dihydroxypropyl]-4-hydroxy-6-methoxycarbonyl-3,4-dihydro-2H-pyran-3-yl]carbamic acid
CID 5273244
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-(2-imino-2-methoxyethoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 10834076
methyl (2R,3R,4S)-4-azido-3-(propanoylamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 10497603
tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 59131603
methyl (2R,3R,4R)-4-azido-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 159911584
methyl (3R,4S,5R,6R)-4-acetamido-6-azido-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-ylcyclohexene-1-carboxylate
CID 102223413
methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10989838

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate (CID 102454089) is methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H]([C@H](O)[C@H](O)CN=[N+]=[N-])O1.
What is the InChIKey of methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is FTZQWZSAUIQSMH-RULNCXCMSA-N. The full InChI is InChI=1S/C15H24N4O8/c1-15(2,3)27-14(24)18-10-7(20)5-9(13(23)25-4)26-12(10)11(22)8(21)6-17-19-16/h5,7-8,10-12,20-22H,6H2,1-4H3,(H,18,24)/t7-,8+,10+,11+,12+/m0/s1.
What are the key properties of methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 388.38 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,4S)-2-[(1R,2R)-3-azido-1,2-dihydroxypropyl]-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 102454089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).