1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid

C13H24N2O3 — CID 113353589

IUPAC1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-13(11(17)18)7-6-8-15(13)10(16)9(14)12(2,3)4/h9H,5-8,14H2,1-4H3,(H,17,18)/t9-,13?/m0/s1
InChIKeyXMHYRUCFUBIXTB-LLTODGECSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds3

About 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid

1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 113353589) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID113353589
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-13(11(17)18)7-6-8-15(13)10(16)9(14)12(2,3)4/h9H,5-8,14H2,1-4H3,(H,17,18)/t9-,13?/m0/s1
InChIKeyXMHYRUCFUBIXTB-LLTODGECSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103309279
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103929899
1-[(2S)-2-amino-3-cyclopropylpropanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 112735416
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
CID 112602393
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070877
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid
CID 63138201

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 113353589) is 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is XMHYRUCFUBIXTB-LLTODGECSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-13(11(17)18)7-6-8-15(13)10(16)9(14)12(2,3)4/h9H,5-8,14H2,1-4H3,(H,17,18)/t9-,13?/m0/s1.
What are the key properties of 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113353589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).