1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid

C11H20N2O3 — CID 102780338

IUPAC1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC(CCN)C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-4-6-13(9(7)11(15)16)10(14)8(2)3-5-12/h7-9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyADVKWPGGKKWXRY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.29
Rot. Bonds4

About 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid

1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102780338) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102780338
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC(CCN)C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-4-6-13(9(7)11(15)16)10(14)8(2)3-5-12/h7-9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyADVKWPGGKKWXRY-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780367
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
3-methyl-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102776307
1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 80544995
4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114593083
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 80543143
4-amino-1-(3,5-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 80542198
1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782270
3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 102787447
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782227

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102780338) is 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid is CC(CCN)C(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is ADVKWPGGKKWXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-4-6-13(9(7)11(15)16)10(14)8(2)3-5-12/h7-9H,3-6,12H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102780338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).