3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid

C11H18N2O5 — CID 43354871

IUPAC3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCOCCN1CC(C(=O)NCCC(=O)O)CC1=O
InChIInChI=1S/C11H18N2O5/c1-18-5-4-13-7-8(6-9(13)14)11(17)12-3-2-10(15)16/h8H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyMELXEFKXTYYXNZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.93
Rot. Bonds7

About 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid

3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 43354871) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID43354871
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCOCCN1CC(C(=O)NCCC(=O)O)CC1=O
InChIInChI=1S/C11H18N2O5/c1-18-5-4-13-7-8(6-9(13)14)11(17)12-3-2-10(15)16/h8H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyMELXEFKXTYYXNZ-UHFFFAOYSA-N
XLogP-0.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55024342
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
1-(2-methoxyethyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 119444938
methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate
CID 146099920
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 60989328
N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 115744579
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (CID 43354871) is 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid is COCCN1CC(C(=O)NCCC(=O)O)CC1=O.
What is the InChIKey of 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is MELXEFKXTYYXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-5-4-13-7-8(6-9(13)14)11(17)12-3-2-10(15)16/h8H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 258.27 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43354871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).