1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 106984110

IUPAC1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCC(C(=O)O)(C(C)C)C2)C1
InChIInChI=1S/C14H24N2O4/c1-10(2)14(12(17)18)5-7-16(9-14)13(19)15-6-4-11(8-15)20-3/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyMQDLPTZRBJNTDD-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.26
Rot. Bonds3

About 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984110) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984110
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCC(C(=O)O)(C(C)C)C2)C1
InChIInChI=1S/C14H24N2O4/c1-10(2)14(12(17)18)5-7-16(9-14)13(19)15-6-4-11(8-15)20-3/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyMQDLPTZRBJNTDD-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983873
1-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063
(3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752724
(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 129465596
1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981624
2-bromo-1-(3-methoxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 103531419
1-(cyclohexylmethylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983688
1-[cyclopentyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983703
1-(3-amino-2-methoxypropanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106114108
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984110) is 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is COC1CCN(C(=O)N2CCC(C(=O)O)(C(C)C)C2)C1.
What is the InChIKey of 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is MQDLPTZRBJNTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)14(12(17)18)5-7-16(9-14)13(19)15-6-4-11(8-15)20-3/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).