2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid

C15H28N2O3 — CID 83080724

IUPAC2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCCC(C)(C)NC(=O)C(C)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-6-14(4,5)16-12(18)11(3)17-10-8-9-15(17,7-2)13(19)20/h11H,6-10H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyHJWXFTJHBSYAAI-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.01
Rot. Bonds6

About 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 83080724) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID83080724
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCCC(C)(C)NC(=O)C(C)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-6-14(4,5)16-12(18)11(3)17-10-8-9-15(17,7-2)13(19)20/h11H,6-10H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyHJWXFTJHBSYAAI-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83070935
2-ethyl-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83080884
2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83079824
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079579
2-ethyl-1-[1-(1-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080824
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 113353589
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978854
2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 102850283
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid (CID 83080724) is 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid is CCC(C)(C)NC(=O)C(C)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is HJWXFTJHBSYAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-14(4,5)16-12(18)11(3)17-10-8-9-15(17,7-2)13(19)20/h11H,6-10H2,1-5H3,(H,16,18)(H,19,20).
What are the key properties of 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).