ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate

C14H26N2O2 — CID 63910733

IUPACethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(C)C1)(NC)C1CC1
InChIInChI=1S/C14H26N2O2/c1-4-18-13(17)14(15-3,12-5-6-12)10-16-8-7-11(2)9-16/h11-12,15H,4-10H2,1-3H3
InChIKeyMJQSRVXXRPIHHZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.26
Rot. Bonds6

About ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate

ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate (PubChem CID 63910733) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
PubChem CID63910733
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(C)C1)(NC)C1CC1
InChIInChI=1S/C14H26N2O2/c1-4-18-13(17)14(15-3,12-5-6-12)10-16-8-7-11(2)9-16/h11-12,15H,4-10H2,1-3H3
InChIKeyMJQSRVXXRPIHHZ-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63907702
ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147
ethyl 2-cyclopropyl-3-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanoate
CID 106588689
ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate
CID 79931961
methyl 2-cyclopropyl-2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63927664
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 79178055
methyl 2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63911312
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
CID 63905558
ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
ethyl 3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63907858
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-methylpiperazin-1-yl)propanoate
CID 63907855

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate (CID 63910733) is ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate is CCOC(=O)C(CN1CCC(C)C1)(NC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate?
The InChIKey is MJQSRVXXRPIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-18-13(17)14(15-3,12-5-6-12)10-16-8-7-11(2)9-16/h11-12,15H,4-10H2,1-3H3.
What are the key properties of ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate?
ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate has a molecular weight of 254.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 63910733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).