ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate

C24H29NO2 — CID 101463161

IUPACethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate
SMILESCCOC(=O)C(CC1=CCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H29NO2/c1-2-27-24(26)23(17-20-11-9-10-12-20)25(18-21-13-5-3-6-14-21)19-22-15-7-4-8-16-22/h3-8,11,13-16,23H,2,9-10,12,17-19H2,1H3
InChIKeyDTWDXIXULCFVTO-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.12
Rot. Bonds9

About ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate

ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate (PubChem CID 101463161) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate
PubChem CID101463161
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Nameethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate
SMILESCCOC(=O)C(CC1=CCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H29NO2/c1-2-27-24(26)23(17-20-11-9-10-12-20)25(18-21-13-5-3-6-14-21)19-22-15-7-4-8-16-22/h3-8,11,13-16,23H,2,9-10,12,17-19H2,1H3
InChIKeyDTWDXIXULCFVTO-UHFFFAOYSA-N
XLogP5.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-ethyl 4-O-methyl (2S)-2-(dibenzylamino)butanedioate
CID 102477689
ethyl (2S)-2,3-bis(dibenzylamino)propanoate
CID 146168369
ethyl 2-(dibenzylamino)-5,5-dimethyl-4-oxohexanoate
CID 102383366
benzyl (2R)-2-(dibenzylamino)-3-phenylpropanoate
CID 36689310
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
CID 106511569
ethyl 2-(dibenzylamino)-4,4-difluoro-3-hydroxybutanoate
CID 15673911
prop-2-enyl 2-(dibenzylamino)-3-phenylpropanoate
CID 86226011
ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 102477685
ethyl 2-(dibenzylamino)-4-phenylbut-3-ynoate
CID 86069558
ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate
CID 18379207
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate?
The IUPAC name of ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate (CID 101463161) is ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate is CCOC(=O)C(CC1=CCCC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate?
The InChIKey is DTWDXIXULCFVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-2-27-24(26)23(17-20-11-9-10-12-20)25(18-21-13-5-3-6-14-21)19-22-15-7-4-8-16-22/h3-8,11,13-16,23H,2,9-10,12,17-19H2,1H3.
What are the key properties of ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate?
ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate has a molecular weight of 363.50 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate is sourced from PubChem (CID 101463161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).