1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C13H24N2O3 — CID 106981591

IUPAC1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C(N)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-8(2)10(14)11(16)15-6-5-13(7-15,9(3)4)12(17)18/h8-10H,5-7,14H2,1-4H3,(H,17,18)
InChIKeyFSFPRGYZGZGHPL-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds4

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

1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106981591) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106981591
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C(N)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-8(2)10(14)11(16)15-6-5-13(7-15,9(3)4)12(17)18/h8-10H,5-7,14H2,1-4H3,(H,17,18)
InChIKeyFSFPRGYZGZGHPL-UHFFFAOYSA-N
XLogP0.93
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981552
1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981624
1-(3-amino-2-methoxypropanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106114108
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 129465596
2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 119333395
1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
CID 71632593
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-methylbutan-1-one
CID 107220163

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106981591) is 1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C(N)C(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is FSFPRGYZGZGHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)10(14)11(16)15-6-5-13(7-15,9(3)4)12(17)18/h8-10H,5-7,14H2,1-4H3,(H,17,18).
What are the key properties of 1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106981591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).