ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate

C19H27NO3 — CID 141033298

IUPACethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate
SMILESCCOC(=O)C(CCc1ccccc1)CC1(C(N)=O)CCCC1
InChIInChI=1S/C19H27NO3/c1-2-23-17(21)16(11-10-15-8-4-3-5-9-15)14-19(18(20)22)12-6-7-13-19/h3-5,8-9,16H,2,6-7,10-14H2,1H3,(H2,20,22)
InChIKeyQBSIXYBLQQLMNC-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.23
Rot. Bonds8

About ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate

ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate (PubChem CID 141033298) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate
PubChem CID141033298
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Nameethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate
SMILESCCOC(=O)C(CCc1ccccc1)CC1(C(N)=O)CCCC1
InChIInChI=1S/C19H27NO3/c1-2-23-17(21)16(11-10-15-8-4-3-5-9-15)14-19(18(20)22)12-6-7-13-19/h3-5,8-9,16H,2,6-7,10-14H2,1H3,(H2,20,22)
InChIKeyQBSIXYBLQQLMNC-UHFFFAOYSA-N
XLogP3.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-ethoxycarbonyl-4-phenylbutyl)cyclopentanecarbonyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 77374318
(2S)-2-[[1-[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid
CID 67799266
2-[(3S)-3-[[1-(2-ethoxycarbonyl-4-phenylbutyl)cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
CID 166603987
ethyl 2-(ethylaminomethyl)-4-phenylbutanoate
CID 13191431
(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid
CID 59892210
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
ethyl 2-(2-phenylethyl)-5,5-bis(phenylsulfanyl)pentanoate
CID 15501159
2-[[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid
CID 11603744
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
5-ethoxy-5-oxo-4-phenyl-2-(2-phenylethyl)pentanoic acid
CID 158421860
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
ethyl 2-acetyl-5-phenylpentanoate
CID 14921745

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate?
The IUPAC name of ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate (CID 141033298) is ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate.
What is the SMILES notation for ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate?
The canonical SMILES for ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate is CCOC(=O)C(CCc1ccccc1)CC1(C(N)=O)CCCC1.
What is the InChIKey of ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate?
The InChIKey is QBSIXYBLQQLMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-2-23-17(21)16(11-10-15-8-4-3-5-9-15)14-19(18(20)22)12-6-7-13-19/h3-5,8-9,16H,2,6-7,10-14H2,1H3,(H2,20,22).
What are the key properties of ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate?
ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate has a molecular weight of 317.43 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate is sourced from PubChem (CID 141033298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).