methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate

C16H28N2O7 — CID 118353366

IUPACmethyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(O)CCNC(=O)[C@@H]1OC(C)(C)OCC1(C)C
InChIInChI=1S/C16H28N2O7/c1-15(2)9-24-16(3,4)25-12(15)14(22)17-7-6-10(19)13(21)18-8-11(20)23-5/h10,12,19H,6-9H2,1-5H3,(H,17,22)(H,18,21)/t10?,12-/m0/s1
InChIKeyWLBOWPKUKTZAMX-KFJBMODSSA-N
MW360.41 g/mol
LogP-0.68
Rot. Bonds7

About methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate

methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate (PubChem CID 118353366) has the molecular formula C16H28N2O7 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate
PubChem CID118353366
Molecular FormulaC16H28N2O7
Molecular Weight360.41 g/mol
Exact Mass360.19
IUPAC Namemethyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(O)CCNC(=O)[C@@H]1OC(C)(C)OCC1(C)C
InChIInChI=1S/C16H28N2O7/c1-15(2)9-24-16(3,4)25-12(15)14(22)17-7-6-10(19)13(21)18-8-11(20)23-5/h10,12,19H,6-9H2,1-5H3,(H,17,22)(H,18,21)/t10?,12-/m0/s1
InChIKeyWLBOWPKUKTZAMX-KFJBMODSSA-N
XLogP-0.68
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate (CID 118353366) is methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate is COC(=O)CNC(=O)C(O)CCNC(=O)[C@@H]1OC(C)(C)OCC1(C)C.
What is the InChIKey of methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate?
The InChIKey is WLBOWPKUKTZAMX-KFJBMODSSA-N. The full InChI is InChI=1S/C16H28N2O7/c1-15(2)9-24-16(3,4)25-12(15)14(22)17-7-6-10(19)13(21)18-8-11(20)23-5/h10,12,19H,6-9H2,1-5H3,(H,17,22)(H,18,21)/t10?,12-/m0/s1.
What are the key properties of methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate?
methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate has a molecular weight of 360.41 g/mol, XLogP of -0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-hydroxy-4-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]butanoyl]amino]acetate is sourced from PubChem (CID 118353366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).