methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate

C15H26N2O6 — CID 56654297

IUPACmethyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate
SMILESCOC(=O)[C@H]1OCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O6/c1-9(16-14(20)23-15(2,3)4)12(18)17-10-7-6-8-22-11(10)13(19)21-5/h9-11H,6-8H2,1-5H3,(H,16,20)(H,17,18)/t9-,10+,11+/m1/s1
InChIKeySBYMKKSGRSRLCY-VWYCJHECSA-N
MW330.38 g/mol
LogP0.74
Rot. Bonds4

About methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate

methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate (PubChem CID 56654297) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate
PubChem CID56654297
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Namemethyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate
SMILESCOC(=O)[C@H]1OCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O6/c1-9(16-14(20)23-15(2,3)4)12(18)17-10-7-6-8-22-11(10)13(19)21-5/h9-11H,6-8H2,1-5H3,(H,16,20)(H,17,18)/t9-,10+,11+/m1/s1
InChIKeySBYMKKSGRSRLCY-VWYCJHECSA-N
XLogP0.74
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate with MolForge

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Related Compounds

methyl (2S,3S)-3-[[(2R)-2-[[(2S,3S)-3-[[(2R)-2-[[(2S,3S)-3-[[(2R)-2-[[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carbonyl]amino]propanoyl]amino]oxane-2-carbonyl]amino]propanoyl]amino]oxane-2-carbonyl]amino]propanoyl]amino]oxane-2-carboxylate
CID 56653610
(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid
CID 178113941
tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate
CID 165467477
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid
CID 175446818
trans-[(2S)-1-[[(1S,2S)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]cyclopentyl]amino]-1-oxopropan-2-yl] (1S,2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]cyclopentane-1-carboxylate
CID 132523682
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[1-[methyl(oxolan-2-ylmethyl)amino]-1-oxopropan-2-yl]carbamate
CID 61436416
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
CID 107243876
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
chloroform;methyl (2S)-2-[[(1S,2R,4R)-4-methyl-2-[[(2S)-2-[[(1S,2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]cyclohexanecarbonyl]amino]propanoyl]amino]cyclohexanecarbonyl]amino]propanoate
CID 139187099

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate?
The IUPAC name of methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate (CID 56654297) is methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate.
What is the SMILES notation for methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate?
The canonical SMILES for methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate is COC(=O)[C@H]1OCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate?
The InChIKey is SBYMKKSGRSRLCY-VWYCJHECSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-9(16-14(20)23-15(2,3)4)12(18)17-10-7-6-8-22-11(10)13(19)21-5/h9-11H,6-8H2,1-5H3,(H,16,20)(H,17,18)/t9-,10+,11+/m1/s1.
What are the key properties of methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate?
methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate is sourced from PubChem (CID 56654297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).