2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

C13H18N2O8 — CID 67905969

IUPAC2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESCC(C)COC(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C13H18N2O8/c1-7(2)5-21-12(20)14-8-6-22-15(10(8)17)13(11(18)19)4-3-9(16)23-13/h7-8H,3-6H2,1-2H3,(H,14,20)(H,18,19)/t8-,13?/m0/s1
InChIKeySAMBLMUYPSBUFY-OADYLZGLSA-N
MW330.29 g/mol
LogP-0.37
Rot. Bonds5

About 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 67905969) has the molecular formula C13H18N2O8 and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
PubChem CID67905969
Molecular FormulaC13H18N2O8
Molecular Weight330.29 g/mol
Exact Mass330.11
IUPAC Name2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESCC(C)COC(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C13H18N2O8/c1-7(2)5-21-12(20)14-8-6-22-15(10(8)17)13(11(18)19)4-3-9(16)23-13/h7-8H,3-6H2,1-2H3,(H,14,20)(H,18,19)/t8-,13?/m0/s1
InChIKeySAMBLMUYPSBUFY-OADYLZGLSA-N
XLogP-0.37
TPSA131.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid with MolForge

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Related Compounds

sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 67905968
2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 70469002
5-oxo-2-[(4S)-3-oxo-4-[(2-phenylacetyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid
CID 14164552
2-[4-[(2-ethoxy-2-methanethioyl-3-sulfanylidenepropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 57161419
methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate
CID 14096185
2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 173368557
2-[(4S)-4-(dimethylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 14096184
sodium 2-[(4S)-4-[(2-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 23696128
(4-nitrophenyl)methyl 5-oxo-2-[(4S)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylate
CID 14798654
2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 14095910
benzhydryl 5-oxo-2-[3-oxo-4-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate
CID 14095994
2,2-dimethylpropanoyloxymethyl 5-oxo-2-[3-oxo-4-[(2-phenylethanethioyl)amino]-1,2-oxazolidin-2-yl]oxolane-2-carboxylate
CID 19869160

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 67905969) is 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is CC(C)COC(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O.
What is the InChIKey of 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The InChIKey is SAMBLMUYPSBUFY-OADYLZGLSA-N. The full InChI is InChI=1S/C13H18N2O8/c1-7(2)5-21-12(20)14-8-6-22-15(10(8)17)13(11(18)19)4-3-9(16)23-13/h7-8H,3-6H2,1-2H3,(H,14,20)(H,18,19)/t8-,13?/m0/s1.
What are the key properties of 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 330.29 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 67905969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).