2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid

C16H21NO4 — CID 60651700

IUPAC2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(OC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C16H21NO4/c1-10-7-8-13(16(19)20)14(9-10)21-11(2)15(18)17-12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWTRMOPMWABQFOC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid

2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid (PubChem CID 60651700) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
PubChem CID60651700
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(OC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C16H21NO4/c1-10-7-8-13(16(19)20)14(9-10)21-11(2)15(18)17-12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWTRMOPMWABQFOC-UHFFFAOYSA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924
N-cyclopropyl-2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]propanamide
CID 77003528
N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 46771023
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 106500745
4-methyl-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 61379609
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 40699149
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
CID 146122600

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid?
The IUPAC name of 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid (CID 60651700) is 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid.
What is the SMILES notation for 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid?
The canonical SMILES for 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(OC(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid?
The InChIKey is WTRMOPMWABQFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-7-8-13(16(19)20)14(9-10)21-11(2)15(18)17-12-5-3-4-6-12/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid?
2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid is sourced from PubChem (CID 60651700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).