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

C13H17N2NaO8 — CID 67905968

IUPACsodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCC(C)COC(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C13H18N2O8.Na/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);/q;+1/p-1/t8-,13?;/m0./s1
InChIKeyBABOXDDFPVPRCS-WDFCJTFPSA-M
MW352.28 g/mol
LogP-4.70
Rot. Bonds5

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

sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 67905968) has the molecular formula C13H17N2NaO8 and a molecular weight of 352.28 g/mol. Its IUPAC name is sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namesodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
PubChem CID67905968
Molecular FormulaC13H17N2NaO8
Molecular Weight352.28 g/mol
Exact Mass352.09
IUPAC Namesodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESCC(C)COC(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+]
InChIInChI=1S/C13H18N2O8.Na/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);/q;+1/p-1/t8-,13?;/m0./s1
InChIKeyBABOXDDFPVPRCS-WDFCJTFPSA-M
XLogP-4.70
TPSA134.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 5-4.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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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-methoxy-2-oxoacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 23696128
sodium 2-[(4S)-4-(4-chlorobut-3-enethioylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 173385454
sodium 2-[(4S)-4-[[(E)-4-cyanobut-3-enethioyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 88594948
methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylate
CID 14096185
sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 23696138
sodium 2-[(4S)-4-[(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 67905916
sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 173368628
(4-nitrophenyl)methyl 5-oxo-2-[(4S)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylate
CID 14798654
disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
CID 14095865
2-[(4S)-4-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 70469002
2-[4-[(2-ethoxy-2-methanethioyl-3-sulfanylidenepropanoyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
CID 57161419

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The IUPAC name of sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 67905968) is sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The canonical SMILES for sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is CC(C)COC(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O.[Na+].
What is the InChIKey of sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The InChIKey is BABOXDDFPVPRCS-WDFCJTFPSA-M. The full InChI is InChI=1S/C13H18N2O8.Na/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);/q;+1/p-1/t8-,13?;/m0./s1.
What are the key properties of sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 352.28 g/mol, XLogP of -4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(4S)-4-(2-methylpropoxycarbonylamino)-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 67905968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).