2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid

C13H22N2O4 — CID 60834519

IUPAC2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H22N2O4/c1-5-9(4)14(7-12(17)18)10-6-11(16)15(8(2)3)13(10)19/h8-10H,5-7H2,1-4H3,(H,17,18)
InChIKeyINYFKOUUMIUYFJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.71
Rot. Bonds6

About 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid

2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid (PubChem CID 60834519) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
PubChem CID60834519
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H22N2O4/c1-5-9(4)14(7-12(17)18)10-6-11(16)15(8(2)3)13(10)19/h8-10H,5-7H2,1-4H3,(H,17,18)
InChIKeyINYFKOUUMIUYFJ-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid
CID 60840305
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid
CID 61011616
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid
CID 61008700
2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 107426067
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid
CID 63066080
3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 54925654
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid
CID 60834441
2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 107440384
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 115420666

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid (CID 60834519) is 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid is CCC(C)N(CC(=O)O)C1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The InChIKey is INYFKOUUMIUYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-5-9(4)14(7-12(17)18)10-6-11(16)15(8(2)3)13(10)19/h8-10H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 60834519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).