2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid

C13H21NO5 — CID 1384037

IUPAC2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESCC(C)=CCC[C@]1(C)OC(=O)N(CC(=O)O)[C@]1(C)O
InChIInChI=1S/C13H21NO5/c1-9(2)6-5-7-12(3)13(4,18)14(8-10(15)16)11(17)19-12/h6,18H,5,7-8H2,1-4H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyWZTJSOKLVHNBIT-QWHCGFSZSA-N
MW271.31 g/mol
LogP1.74
Rot. Bonds5

About 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid

2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid (PubChem CID 1384037) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
PubChem CID1384037
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESCC(C)=CCC[C@]1(C)OC(=O)N(CC(=O)O)[C@]1(C)O
InChIInChI=1S/C13H21NO5/c1-9(2)6-5-7-12(3)13(4,18)14(8-10(15)16)11(17)19-12/h6,18H,5,7-8H2,1-4H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyWZTJSOKLVHNBIT-QWHCGFSZSA-N
XLogP1.74
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The IUPAC name of 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid (CID 1384037) is 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid is CC(C)=CCC[C@]1(C)OC(=O)N(CC(=O)O)[C@]1(C)O.
What is the InChIKey of 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The InChIKey is WZTJSOKLVHNBIT-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H21NO5/c1-9(2)6-5-7-12(3)13(4,18)14(8-10(15)16)11(17)19-12/h6,18H,5,7-8H2,1-4H3,(H,15,16)/t12-,13+/m0/s1.
What are the key properties of 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid has a molecular weight of 271.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid is sourced from PubChem (CID 1384037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).