1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid

C12H22N2O3 — CID 102780398

IUPAC1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCCC(C)(N)C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-6-12(3,13)11(17)14-7-5-8(2)9(14)10(15)16/h8-9H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyFGUUVLLSTRUVJU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds4

About 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid

1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102780398) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102780398
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCCC(C)(N)C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-6-12(3,13)11(17)14-7-5-8(2)9(14)10(15)16/h8-9H,4-7,13H2,1-3H3,(H,15,16)
InChIKeyFGUUVLLSTRUVJU-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114424749
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
1-(2,2-dimethylbutanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069694
2-amino-2-methyl-1-(3-methylmorpholin-4-yl)pentan-1-one
CID 60848214
2-amino-2-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
CID 83052965
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
1-but-3-enoyl-3-methylpyrrolidine-2-carboxylic acid
CID 102775329
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781899
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782010

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102780398) is 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid is CCCC(C)(N)C(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is FGUUVLLSTRUVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-6-12(3,13)11(17)14-7-5-8(2)9(14)10(15)16/h8-9H,4-7,13H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpentanoyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102780398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).