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

C10H10F2N2O7 — CID 14095938

IUPAC2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)(N2OC[C@H](NC(=O)C(F)F)C2=O)O1
InChIInChI=1S/C10H10F2N2O7/c11-6(12)7(16)13-4-3-20-14(8(4)17)10(9(18)19)2-1-5(15)21-10/h4,6H,1-3H2,(H,13,16)(H,18,19)/t4-,10?/m0/s1
InChIKeyRYLMPCZUGOCBLB-YGVKFDHGSA-N
MW308.19 g/mol
LogP-1.37
Rot. Bonds4

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

2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 14095938) has the molecular formula C10H10F2N2O7 and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
PubChem CID14095938
Molecular FormulaC10H10F2N2O7
Molecular Weight308.19 g/mol
Exact Mass308.05
IUPAC Name2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)(N2OC[C@H](NC(=O)C(F)F)C2=O)O1
InChIInChI=1S/C10H10F2N2O7/c11-6(12)7(16)13-4-3-20-14(8(4)17)10(9(18)19)2-1-5(15)21-10/h4,6H,1-3H2,(H,13,16)(H,18,19)/t4-,10?/m0/s1
InChIKeyRYLMPCZUGOCBLB-YGVKFDHGSA-N
XLogP-1.37
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 14095938) is 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is O=C1CCC(C(=O)O)(N2OC[C@H](NC(=O)C(F)F)C2=O)O1.
What is the InChIKey of 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
The InChIKey is RYLMPCZUGOCBLB-YGVKFDHGSA-N. The full InChI is InChI=1S/C10H10F2N2O7/c11-6(12)7(16)13-4-3-20-14(8(4)17)10(9(18)19)2-1-5(15)21-10/h4,6H,1-3H2,(H,13,16)(H,18,19)/t4-,10?/m0/s1.
What are the key properties of 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?
2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 308.19 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[(2,2-difluoroacetyl)amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 14095938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).