ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate

C12H22N2O3 — CID 95625759

IUPACethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)N(C)CCN1CCCC1=O
InChIInChI=1S/C12H22N2O3/c1-4-17-12(16)10(2)13(3)8-9-14-7-5-6-11(14)15/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyXIEPEMADLAOXRG-JTQLQIEISA-N
MW242.32 g/mol
LogP0.49
Rot. Bonds6

About ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate

ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate (PubChem CID 95625759) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
PubChem CID95625759
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)N(C)CCN1CCCC1=O
InChIInChI=1S/C12H22N2O3/c1-4-17-12(16)10(2)13(3)8-9-14-7-5-6-11(14)15/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyXIEPEMADLAOXRG-JTQLQIEISA-N
XLogP0.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]propanoate
CID 95623746
ethyl 3-(2-oxoazepan-1-yl)propanoate
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ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]ethyl]pyrrolidin-2-one
CID 124750591
1-(3,3-diethoxypropyl)pyrrolidin-2-one
CID 63628099
1-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111122276
1-[2-[2-aminoethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 70355592
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 58735421
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate?
The IUPAC name of ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate (CID 95625759) is ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate is CCOC(=O)[C@H](C)N(C)CCN1CCCC1=O.
What is the InChIKey of ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate?
The InChIKey is XIEPEMADLAOXRG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-17-12(16)10(2)13(3)8-9-14-7-5-6-11(14)15/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate?
ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate is sourced from PubChem (CID 95625759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).