cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate

C19H27NO3 — CID 146709441

IUPACcyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate
SMILESCC(C)C[C@H](CC(=O)c1ccc(N)cc1)C(=O)OC1CCCC1
InChIInChI=1S/C19H27NO3/c1-13(2)11-15(19(22)23-17-5-3-4-6-17)12-18(21)14-7-9-16(20)10-8-14/h7-10,13,15,17H,3-6,11-12,20H2,1-2H3/t15-/m1/s1
InChIKeyRAIYBUSBAXCNAG-OAHLLOKOSA-N
MW317.43 g/mol
LogP3.99
Rot. Bonds7

About cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate

cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate (PubChem CID 146709441) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate.

Molecular Properties

Compound Namecyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate
PubChem CID146709441
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namecyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate
SMILESCC(C)C[C@H](CC(=O)c1ccc(N)cc1)C(=O)OC1CCCC1
InChIInChI=1S/C19H27NO3/c1-13(2)11-15(19(22)23-17-5-3-4-6-17)12-18(21)14-7-9-16(20)10-8-14/h7-10,13,15,17H,3-6,11-12,20H2,1-2H3/t15-/m1/s1
InChIKeyRAIYBUSBAXCNAG-OAHLLOKOSA-N
XLogP3.99
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
2-methylpropyl 4-aminobenzoate
CID 23616374
cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate
CID 90908653
cyclohexyl 4-amino-3-(2-methylpropoxy)benzoate
CID 82057544
2-amino-1-(4-cyclopentyloxyphenyl)propan-1-one
CID 82290159
3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
cyclopentyl (2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]amino]-4-methylpentanoate
CID 87530080
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate?
The IUPAC name of cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate (CID 146709441) is cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate.
What is the SMILES notation for cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate?
The canonical SMILES for cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate is CC(C)C[C@H](CC(=O)c1ccc(N)cc1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate?
The InChIKey is RAIYBUSBAXCNAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27NO3/c1-13(2)11-15(19(22)23-17-5-3-4-6-17)12-18(21)14-7-9-16(20)10-8-14/h7-10,13,15,17H,3-6,11-12,20H2,1-2H3/t15-/m1/s1.
What are the key properties of cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate?
cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate has a molecular weight of 317.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R)-2-[2-(4-aminophenyl)-2-oxoethyl]-4-methylpentanoate is sourced from PubChem (CID 146709441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).