2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid

C18H25NO3 — CID 2348557

IUPAC2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid
SMILESCC(C)c1ccccc1NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C18H25NO3/c1-13(2)14-7-3-4-8-15(14)19-16(20)11-18(12-17(21)22)9-5-6-10-18/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyKFKMWCBMEIBPDD-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.17
Rot. Bonds6

About 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid (PubChem CID 2348557) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid
PubChem CID2348557
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid
SMILESCC(C)c1ccccc1NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C18H25NO3/c1-13(2)14-7-3-4-8-15(14)19-16(20)11-18(12-17(21)22)9-5-6-10-18/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyKFKMWCBMEIBPDD-UHFFFAOYSA-N
XLogP4.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid (CID 2348557) is 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid is CC(C)c1ccccc1NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid?
The InChIKey is KFKMWCBMEIBPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(2)14-7-3-4-8-15(14)19-16(20)11-18(12-17(21)22)9-5-6-10-18/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid has a molecular weight of 303.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 2348557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).