ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate

C16H32N2O3 — CID 81043973

IUPACethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
SMILESCCCNC(CN(C)CCOCC)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H32N2O3/c1-5-10-17-16(14-8-9-14,15(19)21-7-3)13-18(4)11-12-20-6-2/h14,17H,5-13H2,1-4H3
InChIKeyFWRUUNNRPKBTSU-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.67
Rot. Bonds12

About ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate

ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate (PubChem CID 81043973) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
PubChem CID81043973
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
SMILESCCCNC(CN(C)CCOCC)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H32N2O3/c1-5-10-17-16(14-8-9-14,15(19)21-7-3)13-18(4)11-12-20-6-2/h14,17H,5-13H2,1-4H3
InChIKeyFWRUUNNRPKBTSU-UHFFFAOYSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314
ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63908426
2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
CID 63925030
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid
CID 81074286
2-amino-2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81062105
ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate
CID 63919160
ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
CID 63921616
2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanamide
CID 63909203
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(methylamino)propanoate
CID 63909006
ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63927639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate (CID 81043973) is ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate is CCCNC(CN(C)CCOCC)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate?
The InChIKey is FWRUUNNRPKBTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-10-17-16(14-8-9-14,15(19)21-7-3)13-18(4)11-12-20-6-2/h14,17H,5-13H2,1-4H3.
What are the key properties of ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate?
ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate has a molecular weight of 300.44 g/mol, XLogP of 1.67, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate is sourced from PubChem (CID 81043973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).