ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate

C12H22N2O2 — CID 65236737

IUPACethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1(NC)CCN(C2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-3-16-11(15)8-12(13-2)6-7-14(9-12)10-4-5-10/h10,13H,3-9H2,1-2H3
InChIKeyFZOBPZGVGICCKL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds5

About ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate

ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate (PubChem CID 65236737) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate
PubChem CID65236737
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1(NC)CCN(C2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-3-16-11(15)8-12(13-2)6-7-14(9-12)10-4-5-10/h10,13H,3-9H2,1-2H3
InChIKeyFZOBPZGVGICCKL-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate 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-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]acetamide
CID 65233617
ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate
CID 65236795
2-(1-cyclopropyl-3-ethoxypyrrolidin-3-yl)acetic acid
CID 105466778
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate
CID 65236733
ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79645136
ethyl 2-[4-(methylamino)-1-azabicyclo[3.2.1]octan-4-yl]acetate
CID 105366232
ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
CID 65233937
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
ethyl 2-[1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]acetate
CID 82856390
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 3-anilino-1-cyclopropylpyrrolidine-3-carboxylate
CID 62976587

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate (CID 65236737) is ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate is CCOC(=O)CC1(NC)CCN(C2CC2)C1.
What is the InChIKey of ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate?
The InChIKey is FZOBPZGVGICCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-16-11(15)8-12(13-2)6-7-14(9-12)10-4-5-10/h10,13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate?
ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate has a molecular weight of 226.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate is sourced from PubChem (CID 65236737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).