1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid

C10H16N2O4 — CID 70114955

IUPAC1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(CCN1CC(C(=O)O)CC1=O)C(N)=O
InChIInChI=1S/C10H16N2O4/c1-6(9(11)14)2-3-12-5-7(10(15)16)4-8(12)13/h6-7H,2-5H2,1H3,(H2,11,14)(H,15,16)
InChIKeyWEKYPPUMNBTGLC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.57
Rot. Bonds5

About 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 70114955) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID70114955
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(CCN1CC(C(=O)O)CC1=O)C(N)=O
InChIInChI=1S/C10H16N2O4/c1-6(9(11)14)2-3-12-5-7(10(15)16)4-8(12)13/h6-7H,2-5H2,1H3,(H2,11,14)(H,15,16)
InChIKeyWEKYPPUMNBTGLC-UHFFFAOYSA-N
XLogP-0.57
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 106244819
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid
CID 50981461
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63983679
(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
CID 168695887
1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690171

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid (CID 70114955) is 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid is CC(CCN1CC(C(=O)O)CC1=O)C(N)=O.
What is the InChIKey of 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is WEKYPPUMNBTGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(9(11)14)2-3-12-5-7(10(15)16)4-8(12)13/h6-7H,2-5H2,1H3,(H2,11,14)(H,15,16).
What are the key properties of 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70114955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).