(2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid

C18H23F2NO5 — CID 67461444

IUPAC(2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
SMILESCC(C)(C)OC(=O)N[C@](C)(CCCC(=O)c1ccc(F)c(F)c1)C(=O)O
InChIInChI=1S/C18H23F2NO5/c1-17(2,3)26-16(25)21-18(4,15(23)24)9-5-6-14(22)11-7-8-12(19)13(20)10-11/h7-8,10H,5-6,9H2,1-4H3,(H,21,25)(H,23,24)/t18-/m1/s1
InChIKeyYFMGIBOFSKCEQW-GOSISDBHSA-N
MW371.38 g/mol
LogP3.69
Rot. Bonds7

About (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid

(2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid (PubChem CID 67461444) has the molecular formula C18H23F2NO5 and a molecular weight of 371.38 g/mol. Its IUPAC name is (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
PubChem CID67461444
Molecular FormulaC18H23F2NO5
Molecular Weight371.38 g/mol
Exact Mass371.15
IUPAC Name(2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
SMILESCC(C)(C)OC(=O)N[C@](C)(CCCC(=O)c1ccc(F)c(F)c1)C(=O)O
InChIInChI=1S/C18H23F2NO5/c1-17(2,3)26-16(25)21-18(4,15(23)24)9-5-6-14(22)11-7-8-12(19)13(20)10-11/h7-8,10H,5-6,9H2,1-4H3,(H,21,25)(H,23,24)/t18-/m1/s1
InChIKeyYFMGIBOFSKCEQW-GOSISDBHSA-N
XLogP3.69
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The IUPAC name of (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid (CID 67461444) is (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid.
What is the SMILES notation for (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The canonical SMILES for (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid is CC(C)(C)OC(=O)N[C@](C)(CCCC(=O)c1ccc(F)c(F)c1)C(=O)O.
What is the InChIKey of (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The InChIKey is YFMGIBOFSKCEQW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23F2NO5/c1-17(2,3)26-16(25)21-18(4,15(23)24)9-5-6-14(22)11-7-8-12(19)13(20)10-11/h7-8,10H,5-6,9H2,1-4H3,(H,21,25)(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
(2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid has a molecular weight of 371.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(3,4-difluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid is sourced from PubChem (CID 67461444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).