2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid

C19H24F2N2O6 — CID 22144011

IUPAC2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(CCC1COC(=O)N1Cc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C19H24F2N2O6/c1-11(2)5-16(17(24)25)22(18(26)27)4-3-15-10-29-19(28)23(15)9-12-6-13(20)8-14(21)7-12/h6-8,11,15-16H,3-5,9-10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyFRQYZYZEPPKFRI-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.15
Rot. Bonds9

About 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid

2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid (PubChem CID 22144011) has the molecular formula C19H24F2N2O6 and a molecular weight of 414.41 g/mol. Its IUPAC name is 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid
PubChem CID22144011
Molecular FormulaC19H24F2N2O6
Molecular Weight414.41 g/mol
Exact Mass414.16
IUPAC Name2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(CCC1COC(=O)N1Cc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C19H24F2N2O6/c1-11(2)5-16(17(24)25)22(18(26)27)4-3-15-10-29-19(28)23(15)9-12-6-13(20)8-14(21)7-12/h6-8,11,15-16H,3-5,9-10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyFRQYZYZEPPKFRI-UHFFFAOYSA-N
XLogP3.15
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid (CID 22144011) is 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid is CC(C)CC(C(=O)O)N(CCC1COC(=O)N1Cc1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid?
The InChIKey is FRQYZYZEPPKFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O6/c1-11(2)5-16(17(24)25)22(18(26)27)4-3-15-10-29-19(28)23(15)9-12-6-13(20)8-14(21)7-12/h6-8,11,15-16H,3-5,9-10H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid?
2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid has a molecular weight of 414.41 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]ethyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 22144011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).