[2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate

C17H23NO4 — CID 7233313

IUPAC[2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C17H23NO4/c1-2-15(22-14-10-4-3-5-11-14)17(20)21-12-16(19)18-13-8-6-7-9-13/h3-5,10-11,13,15H,2,6-9,12H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyNMVKOTYDHGLYPS-OAHLLOKOSA-N
MW305.37 g/mol
LogP2.45
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate

[2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate (PubChem CID 7233313) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
PubChem CID7233313
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C17H23NO4/c1-2-15(22-14-10-4-3-5-11-14)17(20)21-12-16(19)18-13-8-6-7-9-13/h3-5,10-11,13,15H,2,6-9,12H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyNMVKOTYDHGLYPS-OAHLLOKOSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 8791431
[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555759
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7555599
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806696
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867507
[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233309
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233320
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
CID 92673860
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229792
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate (CID 7233313) is [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate is CC[C@@H](Oc1ccccc1)C(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The InChIKey is NMVKOTYDHGLYPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-15(22-14-10-4-3-5-11-14)17(20)21-12-16(19)18-13-8-6-7-9-13/h3-5,10-11,13,15H,2,6-9,12H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
[2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate has a molecular weight of 305.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate is sourced from PubChem (CID 7233313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).