1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C13H24N2O4 — CID 106981624

IUPAC1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOCCC(N)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-9(2)13(12(17)18)5-6-15(8-13)11(16)10(14)4-7-19-3/h9-10H,4-8,14H2,1-3H3,(H,17,18)
InChIKeyVJMOMJMVWXUGHK-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.31
Rot. Bonds6

About 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106981624) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106981624
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCOCCC(N)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-9(2)13(12(17)18)5-6-15(8-13)11(16)10(14)4-7-19-3/h9-10H,4-8,14H2,1-3H3,(H,17,18)
InChIKeyVJMOMJMVWXUGHK-UHFFFAOYSA-N
XLogP0.31
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591
1-(3-amino-2-methoxypropanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106114108
1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981476
1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981552
2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one
CID 107220007
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103533201
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217277
1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318300
1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982524
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984303
1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984110

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106981624) is 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is COCCC(N)C(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is VJMOMJMVWXUGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)13(12(17)18)5-6-15(8-13)11(16)10(14)4-7-19-3/h9-10H,4-8,14H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106981624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).