methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate

C30H40N2O3 — CID 118737699

IUPACmethyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)NC1(c2ccc(-c3ccc(CCN4CCC[C@H]4C)cc3)cc2)CCCC1
InChIInChI=1S/C30H40N2O3/c1-23-7-6-21-32(23)22-18-24-10-12-25(13-11-24)26-14-16-27(17-15-26)30(19-3-4-20-30)31-28(33)8-5-9-29(34)35-2/h10-17,23H,3-9,18-22H2,1-2H3,(H,31,33)/t23-/m1/s1
InChIKeyAUOUNTFIDHVYOR-HSZRJFAPSA-N
MW476.66 g/mol
LogP5.61
Rot. Bonds10

About methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate

methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate (PubChem CID 118737699) has the molecular formula C30H40N2O3 and a molecular weight of 476.66 g/mol. Its IUPAC name is methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate
PubChem CID118737699
Molecular FormulaC30H40N2O3
Molecular Weight476.66 g/mol
Exact Mass476.30
IUPAC Namemethyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)NC1(c2ccc(-c3ccc(CCN4CCC[C@H]4C)cc3)cc2)CCCC1
InChIInChI=1S/C30H40N2O3/c1-23-7-6-21-32(23)22-18-24-10-12-25(13-11-24)26-14-16-27(17-15-26)30(19-3-4-20-30)31-28(33)8-5-9-29(34)35-2/h10-17,23H,3-9,18-22H2,1-2H3,(H,31,33)/t23-/m1/s1
InChIKeyAUOUNTFIDHVYOR-HSZRJFAPSA-N
XLogP5.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate with MolForge

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Related Compounds

methyl 5-[({2-[benzyl(methyl)amino]-2,3-dihydro-1H-inden-2-yl}methyl)amino]-5-oxopentanoate
CID 23723944
methyl 3-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-3-oxopropanoate
CID 118737701
5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoic acid
CID 118737702
Methyl 5-[[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]amino]-5-oxopentanoate
CID 11537872
3-[[(S)-phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 171096841
1-O-tert-butyl 3-O-methyl (3R,5S)-5-[(1-phenylcyclopentyl)carbamoyl]piperidine-1,3-dicarboxylate
CID 57790321
5-[Bis(4-ethylphenyl)methylamino]-5-oxopentanoic acid
CID 67777924
Methyl 5-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-5-oxopentanoate
CID 68463594
Methyl 5-oxo-5-[(4-phenyl-4-piperidin-1-ylcyclohexyl)amino]pentanoate
CID 68464082
Methyl 5-[[4-benzyl-4-(dimethylamino)cyclohexyl]amino]-5-oxopentanoate
CID 68466748
Methyl 2-[1-methyl-5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate
CID 118176636
Methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate
CID 118176639

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate (CID 118737699) is methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate is COC(=O)CCCC(=O)NC1(c2ccc(-c3ccc(CCN4CCC[C@H]4C)cc3)cc2)CCCC1.
What is the InChIKey of methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate?
The InChIKey is AUOUNTFIDHVYOR-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H40N2O3/c1-23-7-6-21-32(23)22-18-24-10-12-25(13-11-24)26-14-16-27(17-15-26)30(19-3-4-20-30)31-28(33)8-5-9-29(34)35-2/h10-17,23H,3-9,18-22H2,1-2H3,(H,31,33)/t23-/m1/s1.
What are the key properties of methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate?
methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate has a molecular weight of 476.66 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate is sourced from PubChem (CID 118737699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).