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

C9H14N2O5 — CID 142439161

IUPAC3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCOC1(NC(=O)C2C(=O)ON(C)C2O)CC1
InChIInChI=1S/C9H14N2O5/c1-11-7(13)5(8(14)16-11)6(12)10-9(15-2)3-4-9/h5,7,13H,3-4H2,1-2H3,(H,10,12)
InChIKeyRVXNVVDHMVLLOF-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.42
Rot. Bonds3

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

3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439161) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439161
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCOC1(NC(=O)C2C(=O)ON(C)C2O)CC1
InChIInChI=1S/C9H14N2O5/c1-11-7(13)5(8(14)16-11)6(12)10-9(15-2)3-4-9/h5,7,13H,3-4H2,1-2H3,(H,10,12)
InChIKeyRVXNVVDHMVLLOF-UHFFFAOYSA-N
XLogP-1.42
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide
CID 142439110
N-(1-fluorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439137
3-hydroxy-2-methyl-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide
CID 142439167
3-hydroxy-5-oxo-N-[1-(trifluoromethoxy)cyclopropyl]-1,2-oxazolidine-4-carboxamide
CID 142439111
N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439095
1-[(3-Hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 142439116
Methyl 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylate
CID 142439124
3-hydroxy-2-methyl-N-(1-methylcyclopropyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439141
N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439150
3-hydroxy-5-oxo-N-(2-oxobutyl)-1,2-oxazolidine-4-carboxamide
CID 142439174
N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane
CID 142439181
N-(1-ethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439185

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439161) is 3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is COC1(NC(=O)C2C(=O)ON(C)C2O)CC1.
What is the InChIKey of 3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is RVXNVVDHMVLLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-11-7(13)5(8(14)16-11)6(12)10-9(15-2)3-4-9/h5,7,13H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 230.22 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-methoxycyclopropyl)-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).