[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium

C16H24ClN2O+ — CID 8635750

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23ClN2O/c1-11(13-7-9-14(17)10-8-13)18-12(2)16(20)19-15-5-3-4-6-15/h7-12,15,18H,3-6H2,1-2H3,(H,19,20)/p+1/t11-,12+/m1/s1
InChIKeyRFQHPMCJRUJDHE-NEPJUHHUSA-O
MW295.83 g/mol
LogP2.41
Rot. Bonds5

About [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium (PubChem CID 8635750) has the molecular formula C16H24ClN2O+ and a molecular weight of 295.83 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
PubChem CID8635750
Molecular FormulaC16H24ClN2O+
Molecular Weight295.83 g/mol
Exact Mass295.16
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23ClN2O/c1-11(13-7-9-14(17)10-8-13)18-12(2)16(20)19-15-5-3-4-6-15/h7-12,15,18H,3-6H2,1-2H3,(H,19,20)/p+1/t11-,12+/m1/s1
InChIKeyRFQHPMCJRUJDHE-NEPJUHHUSA-O
XLogP2.41
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 8650124
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
[(1S)-1-(4-chlorophenyl)ethyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8637164
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9451661
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9334846
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
CID 9334887
2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 4173138
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]azanium
CID 8639422
[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8643319
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium (CID 8635750) is [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium is C[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)NC1CCCC1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is RFQHPMCJRUJDHE-NEPJUHHUSA-O. The full InChI is InChI=1S/C16H23ClN2O/c1-11(13-7-9-14(17)10-8-13)18-12(2)16(20)19-15-5-3-4-6-15/h7-12,15,18H,3-6H2,1-2H3,(H,19,20)/p+1/t11-,12+/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 295.83 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8635750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).