methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate

C12H18N2O6 — CID 142439118

IUPACmethyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2C(=O)ON(C)C2O)CCCC1
InChIInChI=1S/C12H18N2O6/c1-14-9(16)7(10(17)20-14)8(15)13-12(11(18)19-2)5-3-4-6-12/h7,9,16H,3-6H2,1-2H3,(H,13,15)
InChIKeyXPFQLAHAFDESDL-UHFFFAOYSA-N
MW286.28 g/mol
LogP-1.07
Rot. Bonds3

About methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate

methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate (PubChem CID 142439118) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate
PubChem CID142439118
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Namemethyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2C(=O)ON(C)C2O)CCCC1
InChIInChI=1S/C12H18N2O6/c1-14-9(16)7(10(17)20-14)8(15)13-12(11(18)19-2)5-3-4-6-12/h7,9,16H,3-6H2,1-2H3,(H,13,15)
InChIKeyXPFQLAHAFDESDL-UHFFFAOYSA-N
XLogP-1.07
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate with MolForge

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Related Compounds

Ethyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclohexane-1-carboxylate
CID 142439088
1-[(3-Hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 142439126
3-hydroxy-2-methyl-N-(1-methylcyclopentyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439186
1-[[1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 43350988
1-[[4-(Propylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 66255391
1-[[4-(Ethylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 66258119
1-[[4-(Methylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 66266226

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate (CID 142439118) is methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)C2C(=O)ON(C)C2O)CCCC1.
What is the InChIKey of methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate?
The InChIKey is XPFQLAHAFDESDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-14-9(16)7(10(17)20-14)8(15)13-12(11(18)19-2)5-3-4-6-12/h7,9,16H,3-6H2,1-2H3,(H,13,15).
What are the key properties of methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate?
methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate has a molecular weight of 286.28 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 142439118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).