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

C16H27NO8 — CID 161098517

IUPACmethyl (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
SMILESCOC(=O)C1=C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C16H27NO8/c1-8-9(17-15(22)25-16(2,3)4)6-11(14(21)23-5)24-13(8)12(20)10(19)7-18/h6,8-10,12-13,18-20H,7H2,1-5H3,(H,17,22)/t8-,9+,10-,12-,13-/m1/s1
InChIKeyZCHIQJKPDDQQRI-IFHCSVGRSA-N
MW361.39 g/mol
LogP-0.31
Rot. Bonds5

About 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

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 (PubChem CID 161098517) has the molecular formula C16H27NO8 and a molecular weight of 361.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (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
PubChem CID161098517
Molecular FormulaC16H27NO8
Molecular Weight361.39 g/mol
Exact Mass361.17
IUPAC Namemethyl (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
SMILESCOC(=O)C1=C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C16H27NO8/c1-8-9(17-15(22)25-16(2,3)4)6-11(14(21)23-5)24-13(8)12(20)10(19)7-18/h6,8-10,12-13,18-20H,7H2,1-5H3,(H,17,22)/t8-,9+,10-,12-,13-/m1/s1
InChIKeyZCHIQJKPDDQQRI-IFHCSVGRSA-N
XLogP-0.31
TPSA134.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 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 (2R,3S,4S)-3-acetamido-4-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1,2,3-trihydroxypropyl)-2,3-dihydropyran-6-carboxylate
CID 135385518
methyl (2R,3R,4R)-4-azido-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 159911584
(2R,3R,4R)-4-(1-aminoethenylamino)-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;dichloromethane;methyl (2R,3R,4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3-methyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 157081291
methyl 3-(1-acetamidoethyl)-4-(methylamino)-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 90995014
methyl 3-acetamido-4-hydroxy-2-[(2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 139026026
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
acetyl chloride;methyl (2R,3R,4S)-3-acetamido-4-amino-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate;hydrochloride
CID 160839084
methyl (2R,3R,4S)-4-acetyloxy-3-azido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 10853956
methyl (2R,4S,5R,6R)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 176908963
actinium;methyl (2R)-4-amino-3-(2-oxoethenylamino)-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate;bis(methyl (2R)-3-(2-oxoethenylamino)-4-(prop-1-en-2-ylamino)-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate);2-[[(2R)-6-methyl-4-(prop-1-en-2-ylamino)-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-3-yl]amino]ethenone
CID 176535611
methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-nitrophenoxy)carbonyloxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-carboxylate
CID 162455308
(2R,3R,4R)-3-acetamido-4-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 24828476

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C1=C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O1.
What is the InChIKey of 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?
The InChIKey is ZCHIQJKPDDQQRI-IFHCSVGRSA-N. The full InChI is InChI=1S/C16H27NO8/c1-8-9(17-15(22)25-16(2,3)4)6-11(14(21)23-5)24-13(8)12(20)10(19)7-18/h6,8-10,12-13,18-20H,7H2,1-5H3,(H,17,22)/t8-,9+,10-,12-,13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 361.39 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161098517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).