methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate

C11H19NO5 — CID 163534860

IUPACmethyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate
SMILESCOC(=O)CCC(CO)=NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h13H,5-7H2,1-4H3
InChIKeyDWBYYTKDXRYTRM-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.31
Rot. Bonds4

About methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate

methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate (PubChem CID 163534860) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate
PubChem CID163534860
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate
SMILESCOC(=O)CCC(CO)=NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h13H,5-7H2,1-4H3
InChIKeyDWBYYTKDXRYTRM-UHFFFAOYSA-N
XLogP1.31
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5-Hydroxy-2-methyl-1-oxo-1-propan-2-yloxypentan-3-ylidene)carbamic acid
CID 90831307
4-Acetylimino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 163440087
5-Methoxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]-5-oxopentanoic acid
CID 164060894
5-Methoxy-2-[(2-methylpropan-2-yl)oxycarbonylimino]-5-oxopentanoic acid
CID 173695526
5-[(2-Methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylimino]-5-oxopentanoic acid
CID 173971365
4-[(2-Methylpropan-2-yl)oxycarbonylimino]pentanoic acid
CID 159246381
Tert-butyl 6-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]hexanoate
CID 162018782

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate?
The IUPAC name of methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate (CID 163534860) is methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate.
What is the SMILES notation for methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate?
The canonical SMILES for methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate is COC(=O)CCC(CO)=NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate?
The InChIKey is DWBYYTKDXRYTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h13H,5-7H2,1-4H3.
What are the key properties of methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate?
methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate has a molecular weight of 245.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylimino]pentanoate is sourced from PubChem (CID 163534860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).