2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid

C11H20N2O3 — CID 118551219

IUPAC2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N1C(=O)C(N)CC1C
InChIInChI=1S/C11H20N2O3/c1-6(2)4-9(11(15)16)13-7(3)5-8(12)10(13)14/h6-9H,4-5,12H2,1-3H3,(H,15,16)
InChIKeyAVGKTXCJKISHFZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.43
Rot. Bonds4

About 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid

2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid (PubChem CID 118551219) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
PubChem CID118551219
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N1C(=O)C(N)CC1C
InChIInChI=1S/C11H20N2O3/c1-6(2)4-9(11(15)16)13-7(3)5-8(12)10(13)14/h6-9H,4-5,12H2,1-3H3,(H,15,16)
InChIKeyAVGKTXCJKISHFZ-UHFFFAOYSA-N
XLogP0.43
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid?
The IUPAC name of 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid (CID 118551219) is 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid?
The canonical SMILES for 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)N1C(=O)C(N)CC1C.
What is the InChIKey of 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid?
The InChIKey is AVGKTXCJKISHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6(2)4-9(11(15)16)13-7(3)5-8(12)10(13)14/h6-9H,4-5,12H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid?
2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 118551219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).