N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide

C10H16N2O4 — CID 142439095

IUPACN-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCC1CC1(C)NC(=O)C1C(=O)ON(C)C1O
InChIInChI=1S/C10H16N2O4/c1-5-4-10(5,2)11-7(13)6-8(14)12(3)16-9(6)15/h5-6,8,14H,4H2,1-3H3,(H,11,13)
InChIKeySPJOUEIEBXBXSD-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.76
Rot. Bonds2

About N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide

N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439095) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439095
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCC1CC1(C)NC(=O)C1C(=O)ON(C)C1O
InChIInChI=1S/C10H16N2O4/c1-5-4-10(5,2)11-7(13)6-8(14)12(3)16-9(6)15/h5-6,8,14H,4H2,1-3H3,(H,11,13)
InChIKeySPJOUEIEBXBXSD-UHFFFAOYSA-N
XLogP-0.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439095) is N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is CC1CC1(C)NC(=O)C1C(=O)ON(C)C1O.
What is the InChIKey of N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is SPJOUEIEBXBXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5-4-10(5,2)11-7(13)6-8(14)12(3)16-9(6)15/h5-6,8,14H,4H2,1-3H3,(H,11,13).
What are the key properties of N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).