4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid

C15H17NO6 — CID 59897121

IUPAC4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid
SMILESO=C(O)CCC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO6/c17-13(18)8-4-7-12-14(19)22-10-16(12)15(20)21-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1
InChIKeyAYXRJTVQEHNKGE-LBPRGKRZSA-N
MW307.30 g/mol
LogP1.76
Rot. Bonds6

About 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid

4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid (PubChem CID 59897121) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid
PubChem CID59897121
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid
SMILESO=C(O)CCC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO6/c17-13(18)8-4-7-12-14(19)22-10-16(12)15(20)21-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1
InChIKeyAYXRJTVQEHNKGE-LBPRGKRZSA-N
XLogP1.76
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid?
The IUPAC name of 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid (CID 59897121) is 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid.
What is the SMILES notation for 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid?
The canonical SMILES for 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid is O=C(O)CCC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid?
The InChIKey is AYXRJTVQEHNKGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17NO6/c17-13(18)8-4-7-12-14(19)22-10-16(12)15(20)21-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid?
4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid has a molecular weight of 307.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]butanoic acid is sourced from PubChem (CID 59897121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).