1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid

C11H20N2O3 — CID 102780367

IUPAC1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)[C@@H](N)C(C)C)C1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-6(2)8(12)10(14)13-5-4-7(3)9(13)11(15)16/h6-9H,4-5,12H2,1-3H3,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeySPIZUYNHKHIXMT-MGURRDGZSA-N
MW228.29 g/mol
LogP0.29
Rot. Bonds3

About 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102780367) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102780367
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)[C@@H](N)C(C)C)C1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-6(2)8(12)10(14)13-5-4-7(3)9(13)11(15)16/h6-9H,4-5,12H2,1-3H3,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeySPIZUYNHKHIXMT-MGURRDGZSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(4-amino-2-methylbutanoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780338
3-methyl-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102776307
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780238
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780342
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
1-(2-amino-3-methylbutanoyl)azetidine-2-carbonitrile
CID 56593241
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid
CID 169193302

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102780367) is 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)[C@@H](N)C(C)C)C1C(=O)O.
What is the InChIKey of 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is SPIZUYNHKHIXMT-MGURRDGZSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6(2)8(12)10(14)13-5-4-7(3)9(13)11(15)16/h6-9H,4-5,12H2,1-3H3,(H,15,16)/t7?,8-,9?/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102780367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).