2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid

C16H21NO3 — CID 929865

IUPAC2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C16H21NO3/c1-12-5-4-6-13(9-12)17-14(18)10-16(11-15(19)20)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyOWYWMHXUQVRTGS-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.36
Rot. Bonds5

About 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 929865) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID929865
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C16H21NO3/c1-12-5-4-6-13(9-12)17-14(18)10-16(11-15(19)20)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyOWYWMHXUQVRTGS-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid (CID 929865) is 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid is Cc1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1.
What is the InChIKey of 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is OWYWMHXUQVRTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-5-4-6-13(9-12)17-14(18)10-16(11-15(19)20)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 929865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).