(3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 141479330

IUPAC(3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-5-7-6-9(15)14(10(7)12(17)18)8(4-2)11(13)16/h7-8,10H,3-6H2,1-2H3,(H2,13,16)(H,17,18)/t7-,8+,10?/m1/s1
InChIKeyYCUZYSCJHNAVHJ-HHCGNCNQSA-N
MW256.30 g/mol
LogP0.35
Rot. Bonds6

About (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid

(3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid (PubChem CID 141479330) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid
PubChem CID141479330
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-5-7-6-9(15)14(10(7)12(17)18)8(4-2)11(13)16/h7-8,10H,3-6H2,1-2H3,(H2,13,16)(H,17,18)/t7-,8+,10?/m1/s1
InChIKeyYCUZYSCJHNAVHJ-HHCGNCNQSA-N
XLogP0.35
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

2-(2-methyl-5-oxopyrrolidin-1-yl)butanamide
CID 72770362
(2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide
CID 11287921
2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide
CID 90858294
(2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide
CID 166791554
(2S)-2-[(4R)-4-(2,2-dideuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 122551749
1-(1-amino-1-oxobutan-2-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 59400544
(2S)-2-[(4S)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 67365791
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 59650074
(2R)-2-[(4R)-4-(2,2-dimethylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 135828034
(2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide
CID 11299382
trans-(2R,3S)-5-oxo-2,3-dipropylcyclopentane-1-carboxylic acid
CID 69341163
(2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide
CID 154988425

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid (CID 141479330) is (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid is CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1C(=O)O.
What is the InChIKey of (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid?
The InChIKey is YCUZYSCJHNAVHJ-HHCGNCNQSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-5-7-6-9(15)14(10(7)12(17)18)8(4-2)11(13)16/h7-8,10H,3-6H2,1-2H3,(H2,13,16)(H,17,18)/t7-,8+,10?/m1/s1.
What are the key properties of (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid?
(3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141479330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).