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

C17H32N2O2 — CID 79178055

IUPACethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(CN1CC(C)C(C)C1)(NC(C)C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-6-21-16(20)17(15-7-8-15,18-12(2)3)11-19-9-13(4)14(5)10-19/h12-15,18H,6-11H2,1-5H3
InChIKeyJLMRHDNXFSPWAH-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.28
Rot. Bonds7

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

ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate (PubChem CID 79178055) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate
PubChem CID79178055
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Nameethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(CN1CC(C)C(C)C1)(NC(C)C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-6-21-16(20)17(15-7-8-15,18-12(2)3)11-19-9-13(4)14(5)10-19/h12-15,18H,6-11H2,1-5H3
InChIKeyJLMRHDNXFSPWAH-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
ethyl 2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63907702
ethyl 2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63916082
ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63920958
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63909152
ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910733
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
methyl 2-cyclopropyl-3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63926632
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
CID 63905558
ethyl 3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63907858
ethyl 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 79672422

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate (CID 79178055) is ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate is CCOC(=O)C(CN1CC(C)C(C)C1)(NC(C)C)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate?
The InChIKey is JLMRHDNXFSPWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-21-16(20)17(15-7-8-15,18-12(2)3)11-19-9-13(4)14(5)10-19/h12-15,18H,6-11H2,1-5H3.
What are the key properties of ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate?
ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate has a molecular weight of 296.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 79178055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).