ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate

C18H27NO2 — CID 11778924

IUPACethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate
SMILESCCOC(=O)C(C)(C)[C@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C18H27NO2/c1-5-21-17(20)18(3,4)16-11-12-19(13-16)14(2)15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3/t14-,16-/m0/s1
InChIKeyWDVNKKAPAYMEIL-HOCLYGCPSA-N
MW289.42 g/mol
LogP3.66
Rot. Bonds5

About ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate

ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate (PubChem CID 11778924) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate
PubChem CID11778924
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nameethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate
SMILESCCOC(=O)C(C)(C)[C@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C18H27NO2/c1-5-21-17(20)18(3,4)16-11-12-19(13-16)14(2)15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3/t14-,16-/m0/s1
InChIKeyWDVNKKAPAYMEIL-HOCLYGCPSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]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

N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
CID 18396255
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 86744623
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
CID 22633923
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066703
2-[1-[1-(4-bromophenyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199158
2-[2-[ethyl-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 98763399
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate (CID 11778924) is ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate is CCOC(=O)C(C)(C)[C@H]1CCN([C@@H](C)c2ccccc2)C1.
What is the InChIKey of ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate?
The InChIKey is WDVNKKAPAYMEIL-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-21-17(20)18(3,4)16-11-12-19(13-16)14(2)15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate?
ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate has a molecular weight of 289.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanoate is sourced from PubChem (CID 11778924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).