ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate

C13H23NO4 — CID 61150779

IUPACethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCCOC1CCCC1
InChIInChI=1S/C13H23NO4/c1-2-17-13(16)8-7-12(15)14-9-10-18-11-5-3-4-6-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyXWMYANYUKMNBDS-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.41
Rot. Bonds8

About ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate

ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate (PubChem CID 61150779) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
PubChem CID61150779
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCCOC1CCCC1
InChIInChI=1S/C13H23NO4/c1-2-17-13(16)8-7-12(15)14-9-10-18-11-5-3-4-6-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyXWMYANYUKMNBDS-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 106707456
N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
CID 107030121
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CID 61217692
ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate
CID 55794353
4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
CID 119325380
6-amino-N-(2-cyclopentyloxyethyl)-4,4-dimethylhexanamide
CID 65291239
4-chloro-N-(2-cyclopentyloxyethyl)butanamide
CID 63828950
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
ethyl 3-(2-cyclohexyloxyethylamino)butanoate
CID 63828571
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
2-(1-aminocyclopentyl)-N-(2-cyclopentyloxyethyl)acetamide
CID 64679065
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate?
The IUPAC name of ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate (CID 61150779) is ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate is CCOC(=O)CCC(=O)NCCOC1CCCC1.
What is the InChIKey of ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate?
The InChIKey is XWMYANYUKMNBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-17-13(16)8-7-12(15)14-9-10-18-11-5-3-4-6-11/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate?
ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate has a molecular weight of 257.33 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate is sourced from PubChem (CID 61150779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).