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

C11H20N2O3 — CID 80544995

IUPAC1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC(CCN)C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7(3-4-12)10(14)13-5-8(2)9(6-13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyCAQRMXCLXVNZIK-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds4

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

1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 80544995) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID80544995
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC(CCN)C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7(3-4-12)10(14)13-5-8(2)9(6-13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyCAQRMXCLXVNZIK-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3,5-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 80542198
4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536787
1-(2-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720387
(3S,4S)-1-[(2S)-2-amino-4-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98540017
3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 79184567
1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720942
1-(2-amino-4-carboxybutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 64889550
1-[2-(carbamoylamino)-3-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720993
1-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780338
1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 82688261
5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 104685422
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721507

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 80544995) is 1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid is CC(CCN)C(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CAQRMXCLXVNZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(3-4-12)10(14)13-5-8(2)9(6-13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(4-amino-2-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.15, 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)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 80544995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).