cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate

C31H36ClN3O4 — CID 24798443

IUPACcyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
SMILESCC(C)C[C@H](NCCc1ccc(-n2c(N)c(C(=O)c3ccc(Cl)cc3)ccc2=O)cc1)C(=O)OC1CCCC1
InChIInChI=1S/C31H36ClN3O4/c1-20(2)19-27(31(38)39-25-5-3-4-6-25)34-18-17-21-7-13-24(14-8-21)35-28(36)16-15-26(30(35)33)29(37)22-9-11-23(32)12-10-22/h7-16,20,25,27,34H,3-6,17-19,33H2,1-2H3/t27-/m0/s1
InChIKeyBBARCDGXYODJNQ-MHZLTWQESA-N
MW550.10 g/mol
LogP5.34
Rot. Bonds11

About cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate

cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate (PubChem CID 24798443) has the molecular formula C31H36ClN3O4 and a molecular weight of 550.10 g/mol. Its IUPAC name is cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate.

Molecular Properties

Compound Namecyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
PubChem CID24798443
Molecular FormulaC31H36ClN3O4
Molecular Weight550.10 g/mol
Exact Mass549.24
IUPAC Namecyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
SMILESCC(C)C[C@H](NCCc1ccc(-n2c(N)c(C(=O)c3ccc(Cl)cc3)ccc2=O)cc1)C(=O)OC1CCCC1
InChIInChI=1S/C31H36ClN3O4/c1-20(2)19-27(31(38)39-25-5-3-4-6-25)34-18-17-21-7-13-24(14-8-21)35-28(36)16-15-26(30(35)33)29(37)22-9-11-23(32)12-10-22/h7-16,20,25,27,34H,3-6,17-19,33H2,1-2H3/t27-/m0/s1
InChIKeyBBARCDGXYODJNQ-MHZLTWQESA-N
XLogP5.34
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.10
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
CID 67445685
cyclopentyl (2S)-4-methyl-2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethylamino]pentanoate
CID 59273143
tert-butyl (2R)-2-[2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethylamino]-4-methylpentanoate
CID 42605871
cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate
CID 90908653
cyclopentyl (2S)-2-[[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
CID 67445477
2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid
CID 143574594
cyclopentyl 2-[[4-[2-[[4-[2-[bis[2-[(3-hydroxy-6-methyl-2-oxo-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethylcarbamoyl]-2,3-dihydroxybenzoyl]amino]ethyl]phenyl]methylamino]-4-methylpentanoate;gadolinium(3+)
CID 159847871
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid
CID 91591652
cyclopentyl (2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]amino]-4-methylpentanoate
CID 87530080
cyclopentyl (2S)-5-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenoxy]-2-methylpentanoate
CID 71159889
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate?
The IUPAC name of cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate (CID 24798443) is cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate.
What is the SMILES notation for cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate?
The canonical SMILES for cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate is CC(C)C[C@H](NCCc1ccc(-n2c(N)c(C(=O)c3ccc(Cl)cc3)ccc2=O)cc1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate?
The InChIKey is BBARCDGXYODJNQ-MHZLTWQESA-N. The full InChI is InChI=1S/C31H36ClN3O4/c1-20(2)19-27(31(38)39-25-5-3-4-6-25)34-18-17-21-7-13-24(14-8-21)35-28(36)16-15-26(30(35)33)29(37)22-9-11-23(32)12-10-22/h7-16,20,25,27,34H,3-6,17-19,33H2,1-2H3/t27-/m0/s1.
What are the key properties of cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate?
cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate has a molecular weight of 550.10 g/mol, XLogP of 5.34, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate is sourced from PubChem (CID 24798443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).