[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate

C16H21NO4 — CID 7506979

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H21NO4/c1-11(15(18)17-13-5-3-4-6-13)21-16(19)12-7-9-14(20-2)10-8-12/h7-11,13H,3-6H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyXCELEVDVPJFJNT-LLVKDONJSA-N
MW291.35 g/mol
LogP2.30
Rot. Bonds5

About [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate (PubChem CID 7506979) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
PubChem CID7506979
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H21NO4/c1-11(15(18)17-13-5-3-4-6-13)21-16(19)12-7-9-14(20-2)10-8-12/h7-11,13H,3-6H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyXCELEVDVPJFJNT-LLVKDONJSA-N
XLogP2.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7507003
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 46790669
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483187
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833961
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate (CID 7506979) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate is COc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate?
The InChIKey is XCELEVDVPJFJNT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(15(18)17-13-5-3-4-6-13)21-16(19)12-7-9-14(20-2)10-8-12/h7-11,13H,3-6H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate has a molecular weight of 291.35 g/mol, XLogP of 2.30, 5 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] 4-methoxybenzoate is sourced from PubChem (CID 7506979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).