tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate

C12H22N2O3 — CID 129359149

IUPACtert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)[C@H]1CCNC1=O
InChIInChI=1S/C12H22N2O3/c1-5-14(9-6-7-13-11(9)16)8-10(15)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1
InChIKeyLIKGECYGKZZVOW-VIFPVBQESA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds4

About tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate

tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate (PubChem CID 129359149) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate
PubChem CID129359149
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)[C@H]1CCNC1=O
InChIInChI=1S/C12H22N2O3/c1-5-14(9-6-7-13-11(9)16)8-10(15)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1
InChIKeyLIKGECYGKZZVOW-VIFPVBQESA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
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tert-butyl 2-[[(1S,2S)-2-[[(1S,2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate (CID 129359149) is tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate is CCN(CC(=O)OC(C)(C)C)[C@H]1CCNC1=O.
What is the InChIKey of tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate?
The InChIKey is LIKGECYGKZZVOW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-14(9-6-7-13-11(9)16)8-10(15)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1.
What are the key properties of tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate?
tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate is sourced from PubChem (CID 129359149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).