ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate

C16H27NO4 — CID 63920321

IUPACethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate
SMILESCCOC(=O)C(COC1CCOCC1)(NC1CC1)C1CC1
InChIInChI=1S/C16H27NO4/c1-2-20-15(18)16(12-3-4-12,17-13-5-6-13)11-21-14-7-9-19-10-8-14/h12-14,17H,2-11H2,1H3
InChIKeyCYYYMXRDVZSYPB-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.65
Rot. Bonds8

About ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate

ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate (PubChem CID 63920321) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate
PubChem CID63920321
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Nameethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate
SMILESCCOC(=O)C(COC1CCOCC1)(NC1CC1)C1CC1
InChIInChI=1S/C16H27NO4/c1-2-20-15(18)16(12-3-4-12,17-13-5-6-13)11-21-14-7-9-19-10-8-14/h12-14,17H,2-11H2,1H3
InChIKeyCYYYMXRDVZSYPB-UHFFFAOYSA-N
XLogP1.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate 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

ethyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propan-2-ylamino)propanoate
CID 63921391
2-cyclopropyl-2-(ethylamino)-3-(oxan-4-yloxy)propanamide
CID 63920320
ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63920958
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(ethyl)amino]propanoate
CID 63911878
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2-methylpropyl)amino]propanoate
CID 63906222
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 63919318
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915943
ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63927639
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)propanoate
CID 79670094

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate (CID 63920321) is ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate is CCOC(=O)C(COC1CCOCC1)(NC1CC1)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate?
The InChIKey is CYYYMXRDVZSYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-20-15(18)16(12-3-4-12,17-13-5-6-13)11-21-14-7-9-19-10-8-14/h12-14,17H,2-11H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate?
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate has a molecular weight of 297.39 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate is sourced from PubChem (CID 63920321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).