[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate

C21H23NO4 — CID 7985171

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
SMILESC[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NC1CCCC1
InChIInChI=1S/C21H23NO4/c1-15(20(23)22-17-9-5-6-10-17)25-21(24)16-8-7-13-19(14-16)26-18-11-3-2-4-12-18/h2-4,7-8,11-15,17H,5-6,9-10H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyBCIJEMCDNGVIET-OAHLLOKOSA-N
MW353.42 g/mol
LogP4.08
Rot. Bonds6

About [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate (PubChem CID 7985171) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
PubChem CID7985171
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
SMILESC[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NC1CCCC1
InChIInChI=1S/C21H23NO4/c1-15(20(23)22-17-9-5-6-10-17)25-21(24)16-8-7-13-19(14-16)26-18-11-3-2-4-12-18/h2-4,7-8,11-15,17H,5-6,9-10H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyBCIJEMCDNGVIET-OAHLLOKOSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 7838656
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 2638280
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 7382068
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700840
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7269971
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700545
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307143
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate (CID 7985171) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate is C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate?
The InChIKey is BCIJEMCDNGVIET-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15(20(23)22-17-9-5-6-10-17)25-21(24)16-8-7-13-19(14-16)26-18-11-3-2-4-12-18/h2-4,7-8,11-15,17H,5-6,9-10H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate has a molecular weight of 353.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate is sourced from PubChem (CID 7985171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).