2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid

C22H26F2N2O4 — CID 170324054

IUPAC2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid
SMILESCC1(C)C(=O)N(CC(=O)NCCC2(CC(=O)O)CC2)c2c(F)cc(C3CC3)c(F)c21
InChIInChI=1S/C22H26F2N2O4/c1-21(2)17-18(24)13(12-3-4-12)9-14(23)19(17)26(20(21)30)11-15(27)25-8-7-22(5-6-22)10-16(28)29/h9,12H,3-8,10-11H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyJZJCJUCFQFSKOE-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.23
Rot. Bonds8

About 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid

2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid (PubChem CID 170324054) has the molecular formula C22H26F2N2O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid
PubChem CID170324054
Molecular FormulaC22H26F2N2O4
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC Name2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid
SMILESCC1(C)C(=O)N(CC(=O)NCCC2(CC(=O)O)CC2)c2c(F)cc(C3CC3)c(F)c21
InChIInChI=1S/C22H26F2N2O4/c1-21(2)17-18(24)13(12-3-4-12)9-14(23)19(17)26(20(21)30)11-15(27)25-8-7-22(5-6-22)10-16(28)29/h9,12H,3-8,10-11H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyJZJCJUCFQFSKOE-UHFFFAOYSA-N
XLogP3.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid (CID 170324054) is 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid is CC1(C)C(=O)N(CC(=O)NCCC2(CC(=O)O)CC2)c2c(F)cc(C3CC3)c(F)c21.
What is the InChIKey of 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid?
The InChIKey is JZJCJUCFQFSKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O4/c1-21(2)17-18(24)13(12-3-4-12)9-14(23)19(17)26(20(21)30)11-15(27)25-8-7-22(5-6-22)10-16(28)29/h9,12H,3-8,10-11H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid?
2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid has a molecular weight of 420.46 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 170324054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).