methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate

C12H21NO5 — CID 141015513

IUPACmethyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate
SMILESCCC(C)(C)C(O)C(=O)N1COCC1C(=O)OC
InChIInChI=1S/C12H21NO5/c1-5-12(2,3)9(14)10(15)13-7-18-6-8(13)11(16)17-4/h8-9,14H,5-7H2,1-4H3
InChIKeyZIGUQGLNTIZUNG-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.14
Rot. Bonds4

About methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate

methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 141015513) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate
PubChem CID141015513
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namemethyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate
SMILESCCC(C)(C)C(O)C(=O)N1COCC1C(=O)OC
InChIInChI=1S/C12H21NO5/c1-5-12(2,3)9(14)10(15)13-7-18-6-8(13)11(16)17-4/h8-9,14H,5-7H2,1-4H3
InChIKeyZIGUQGLNTIZUNG-UHFFFAOYSA-N
XLogP0.14
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane-5,10-dicarboxylate
CID 90845318
methyl 3-methyl-1,3-oxazolidine-4-carboxylate
CID 10701946
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
CID 14630870
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 1-[(2R)-2-(ethoxycarbonylamino)-3-methyl-3-propan-2-ylsulfanylbutanoyl]pyrrolidine-2-carboxylate
CID 70086645
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 104774718
3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 104774758
4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
CID 118540303

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate (CID 141015513) is methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate is CCC(C)(C)C(O)C(=O)N1COCC1C(=O)OC.
What is the InChIKey of methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is ZIGUQGLNTIZUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-5-12(2,3)9(14)10(15)13-7-18-6-8(13)11(16)17-4/h8-9,14H,5-7H2,1-4H3.
What are the key properties of methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate?
methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 141015513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).