ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate

C17H30N2O2 — CID 79177875

IUPACethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CC(C)C(C)C1)(NC1CC1)C1CC1
InChIInChI=1S/C17H30N2O2/c1-4-21-16(20)17(14-5-6-14,18-15-7-8-15)11-19-9-12(2)13(3)10-19/h12-15,18H,4-11H2,1-3H3
InChIKeyVECRYKFSUXRYRN-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.04
Rot. Bonds7

About ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate

ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate (PubChem CID 79177875) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
PubChem CID79177875
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CC(C)C(C)C1)(NC1CC1)C1CC1
InChIInChI=1S/C17H30N2O2/c1-4-21-16(20)17(14-5-6-14,18-15-7-8-15)11-19-9-12(2)13(3)10-19/h12-15,18H,4-11H2,1-3H3
InChIKeyVECRYKFSUXRYRN-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 79178055
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 63919318
ethyl 2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63907702
ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63910370
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide
CID 81465082
ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910733
ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63921670
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(ethyl)amino]propanoate
CID 63911878
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate
CID 63907865
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 115561563
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
CID 63905558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate (CID 79177875) is ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate is CCOC(=O)C(CN1CC(C)C(C)C1)(NC1CC1)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate?
The InChIKey is VECRYKFSUXRYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-21-16(20)17(14-5-6-14,18-15-7-8-15)11-19-9-12(2)13(3)10-19/h12-15,18H,4-11H2,1-3H3.
What are the key properties of ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate?
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate has a molecular weight of 294.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 79177875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).