1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid

C12H20N2O4 — CID 112551738

IUPAC1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)CNC(=O)C(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-7(2)5-13-11(16)8(3)14-6-9(12(17)18)4-10(14)15/h7-9H,4-6H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyWSLCDVRNPYUMAK-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.08
Rot. Bonds5

About 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 112551738) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID112551738
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)CNC(=O)C(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-7(2)5-13-11(16)8(3)14-6-9(12(17)18)4-10(14)15/h7-9H,4-6H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyWSLCDVRNPYUMAK-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 61469101
1-[(2S)-3-chlorobutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 147481828
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
CID 106672398
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
N-(2-hydroxy-4-methylpentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 103771609
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114500457
methyl 1-(5-methylhexan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692553

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 112551738) is 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid is CC(C)CNC(=O)C(C)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is WSLCDVRNPYUMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(2)5-13-11(16)8(3)14-6-9(12(17)18)4-10(14)15/h7-9H,4-6H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid?
1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 112551738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).