1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C14H22N2O5 — CID 63146797

IUPAC1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCCN1CC(C(=O)N2CCC(C)(C(=O)O)C2)CC1=O
InChIInChI=1S/C14H22N2O5/c1-14(13(19)20)3-4-16(9-14)12(18)10-7-11(17)15(8-10)5-6-21-2/h10H,3-9H2,1-2H3,(H,19,20)
InChIKeyVLKBXZKIQHLYNQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.20
Rot. Bonds5

About 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146797) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146797
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCCN1CC(C(=O)N2CCC(C)(C(=O)O)C2)CC1=O
InChIInChI=1S/C14H22N2O5/c1-14(13(19)20)3-4-16(9-14)12(18)10-7-11(17)15(8-10)5-6-21-2/h10H,3-9H2,1-2H3,(H,19,20)
InChIKeyVLKBXZKIQHLYNQ-UHFFFAOYSA-N
XLogP-0.20
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698086
4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66085744
1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256642
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149870
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119621718
1-(2-methoxyethyl)-4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 131904664
(4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 96512990
1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346317

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63146797) is 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is COCCN1CC(C(=O)N2CCC(C)(C(=O)O)C2)CC1=O.
What is the InChIKey of 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is VLKBXZKIQHLYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-14(13(19)20)3-4-16(9-14)12(18)10-7-11(17)15(8-10)5-6-21-2/h10H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).