[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

C20H29N2O4+ — CID 7768923

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
SMILESC[C@@H](OC(=O)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H28N2O4/c1-15(19(23)21-18-4-2-3-5-18)26-20(24)17-8-6-16(7-9-17)14-22-10-12-25-13-11-22/h6-9,15,18H,2-5,10-14H2,1H3,(H,21,23)/p+1/t15-/m1/s1
InChIKeyZUVJGKMIUHGOGS-OAHLLOKOSA-O
MW361.46 g/mol
LogP0.71
Rot. Bonds6

About [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate (PubChem CID 7768923) has the molecular formula C20H29N2O4+ and a molecular weight of 361.46 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
PubChem CID7768923
Molecular FormulaC20H29N2O4+
Molecular Weight361.46 g/mol
Exact Mass361.21
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
SMILESC[C@@H](OC(=O)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H28N2O4/c1-15(19(23)21-18-4-2-3-5-18)26-20(24)17-8-6-16(7-9-17)14-22-10-12-25-13-11-22/h6-9,15,18H,2-5,10-14H2,1H3,(H,21,23)/p+1/t15-/m1/s1
InChIKeyZUVJGKMIUHGOGS-OAHLLOKOSA-O
XLogP0.71
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195613
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
CID 7768557
[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
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[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
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274992

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate (CID 7768923) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate is C[C@@H](OC(=O)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate?
The InChIKey is ZUVJGKMIUHGOGS-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H28N2O4/c1-15(19(23)21-18-4-2-3-5-18)26-20(24)17-8-6-16(7-9-17)14-22-10-12-25-13-11-22/h6-9,15,18H,2-5,10-14H2,1H3,(H,21,23)/p+1/t15-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate has a molecular weight of 361.46 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 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-(morpholin-4-ium-4-ylmethyl)benzoate is sourced from PubChem (CID 7768923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).