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

C22H26F2N2O4 — CID 170324058

IUPAC2-[1-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid
SMILESC[C@@H](NC(=O)CN1C(=O)C(C)(C)c2c(F)c(C3CC3)cc(F)c21)C1(CC(=O)O)CC1
InChIInChI=1S/C22H26F2N2O4/c1-11(22(6-7-22)9-16(28)29)25-15(27)10-26-19-14(23)8-13(12-4-5-12)18(24)17(19)21(2,3)20(26)30/h8,11-12H,4-7,9-10H2,1-3H3,(H,25,27)(H,28,29)/t11-/m1/s1
InChIKeyNWVMKPTUIGQSMF-LLVKDONJSA-N
MW420.46 g/mol
LogP3.23
Rot. Bonds7

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

2-[1-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid (PubChem CID 170324058) has the molecular formula C22H26F2N2O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-[1-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid
PubChem CID170324058
Molecular FormulaC22H26F2N2O4
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC Name2-[1-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid
SMILESC[C@@H](NC(=O)CN1C(=O)C(C)(C)c2c(F)c(C3CC3)cc(F)c21)C1(CC(=O)O)CC1
InChIInChI=1S/C22H26F2N2O4/c1-11(22(6-7-22)9-16(28)29)25-15(27)10-26-19-14(23)8-13(12-4-5-12)18(24)17(19)21(2,3)20(26)30/h8,11-12H,4-7,9-10H2,1-3H3,(H,25,27)(H,28,29)/t11-/m1/s1
InChIKeyNWVMKPTUIGQSMF-LLVKDONJSA-N
XLogP3.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R)-1-[[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-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid (CID 170324058) is 2-[1-[(1R)-1-[[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-[(1R)-1-[[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-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid is C[C@@H](NC(=O)CN1C(=O)C(C)(C)c2c(F)c(C3CC3)cc(F)c21)C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid?
The InChIKey is NWVMKPTUIGQSMF-LLVKDONJSA-N. The full InChI is InChI=1S/C22H26F2N2O4/c1-11(22(6-7-22)9-16(28)29)25-15(27)10-26-19-14(23)8-13(12-4-5-12)18(24)17(19)21(2,3)20(26)30/h8,11-12H,4-7,9-10H2,1-3H3,(H,25,27)(H,28,29)/t11-/m1/s1.
What are the key properties of 2-[1-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid?
2-[1-[(1R)-1-[[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, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R)-1-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]ethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 170324058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).