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

C14H22N2O8Si — CID 14095822

IUPAC5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid
SMILESC[Si](C)(C)CCOC(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C14H22N2O8Si/c1-25(2,3)7-6-22-13(21)15-9-8-23-16(11(9)18)14(12(19)20)5-4-10(17)24-14/h9H,4-8H2,1-3H3,(H,15,21)(H,19,20)/t9-,14?/m0/s1
InChIKeyNALMQUVQGJMGGR-CUVJYRNJSA-N
MW374.42 g/mol
LogP0.31
Rot. Bonds6

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

5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid (PubChem CID 14095822) has the molecular formula C14H22N2O8Si and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid
PubChem CID14095822
Molecular FormulaC14H22N2O8Si
Molecular Weight374.42 g/mol
Exact Mass374.11
IUPAC Name5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid
SMILESC[Si](C)(C)CCOC(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O
InChIInChI=1S/C14H22N2O8Si/c1-25(2,3)7-6-22-13(21)15-9-8-23-16(11(9)18)14(12(19)20)5-4-10(17)24-14/h9H,4-8H2,1-3H3,(H,15,21)(H,19,20)/t9-,14?/m0/s1
InChIKeyNALMQUVQGJMGGR-CUVJYRNJSA-N
XLogP0.31
TPSA131.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 67905969
sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 67905968
2-[4-[(2-cyanoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 14095624
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
2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 70469002
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-[[(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
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

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid?
The IUPAC name of 5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid (CID 14095822) is 5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid is C[Si](C)(C)CCOC(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O.
What is the InChIKey of 5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid?
The InChIKey is NALMQUVQGJMGGR-CUVJYRNJSA-N. The full InChI is InChI=1S/C14H22N2O8Si/c1-25(2,3)7-6-22-13(21)15-9-8-23-16(11(9)18)14(12(19)20)5-4-10(17)24-14/h9H,4-8H2,1-3H3,(H,15,21)(H,19,20)/t9-,14?/m0/s1.
What are the key properties of 5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid?
5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid has a molecular weight of 374.42 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-[(4S)-3-oxo-4-(2-trimethylsilylethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 14095822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).