ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate

C17H28N2O5 — CID 46994260

IUPACethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C17H28N2O5/c1-2-24-17(22)11-14-12-23-10-9-19(14)16(21)8-7-15(20)18-13-5-3-4-6-13/h13-14H,2-12H2,1H3,(H,18,20)
InChIKeyHWHRDVLJEQMNPZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.01
Rot. Bonds7

About ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate

ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate (PubChem CID 46994260) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate
PubChem CID46994260
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Nameethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C17H28N2O5/c1-2-24-17(22)11-14-12-23-10-9-19(14)16(21)8-7-15(20)18-13-5-3-4-6-13/h13-14H,2-12H2,1H3,(H,18,20)
InChIKeyHWHRDVLJEQMNPZ-UHFFFAOYSA-N
XLogP1.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide
CID 95872613
2-(cyclopentylamino)-1-(3-ethylmorpholin-4-yl)ethanone
CID 54928560
ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
CID 165488230
ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate
CID 25369911
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375
ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 108563869
ethyl 3-[2-(2-ethoxy-2-oxoethyl)pyrrolidin-1-yl]-3-oxopropanoate
CID 139663966
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
2-(2-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 62782698
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
CID 78760581
ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
CID 60669009

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate (CID 46994260) is ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate is CCOC(=O)CC1COCCN1C(=O)CCC(=O)NC1CCCC1.
What is the InChIKey of ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate?
The InChIKey is HWHRDVLJEQMNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-2-24-17(22)11-14-12-23-10-9-19(14)16(21)8-7-15(20)18-13-5-3-4-6-13/h13-14H,2-12H2,1H3,(H,18,20).
What are the key properties of ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate?
ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate has a molecular weight of 340.42 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate is sourced from PubChem (CID 46994260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).