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

C9H12N2O6 — CID 142439124

IUPACmethyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2C(=O)ONC2O)CC1
InChIInChI=1S/C9H12N2O6/c1-16-8(15)9(2-3-9)10-5(12)4-6(13)11-17-7(4)14/h4,6,11,13H,2-3H2,1H3,(H,10,12)
InChIKeyVZRJKPRWGGQMAC-UHFFFAOYSA-N
MW244.20 g/mol
LogP-2.20
Rot. Bonds3

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

methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate (PubChem CID 142439124) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate
PubChem CID142439124
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Namemethyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2C(=O)ONC2O)CC1
InChIInChI=1S/C9H12N2O6/c1-16-8(15)9(2-3-9)10-5(12)4-6(13)11-17-7(4)14/h4,6,11,13H,2-3H2,1H3,(H,10,12)
InChIKeyVZRJKPRWGGQMAC-UHFFFAOYSA-N
XLogP-2.20
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate (CID 142439124) is methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate is COC(=O)C1(NC(=O)C2C(=O)ONC2O)CC1.
What is the InChIKey of methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate?
The InChIKey is VZRJKPRWGGQMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6/c1-16-8(15)9(2-3-9)10-5(12)4-6(13)11-17-7(4)14/h4,6,11,13H,2-3H2,1H3,(H,10,12).
What are the key properties of methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate?
methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate has a molecular weight of 244.20 g/mol, XLogP of -2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 142439124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).