2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid

C15H24N2O4 — CID 60834441

IUPAC2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid
SMILESCCC(C)N1C(=O)CC(N(CC(=O)O)C2CCCC2)C1=O
InChIInChI=1S/C15H24N2O4/c1-3-10(2)17-13(18)8-12(15(17)21)16(9-14(19)20)11-6-4-5-7-11/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyPWYRWALSOQVAET-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.24
Rot. Bonds6

About 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid

2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid (PubChem CID 60834441) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid
PubChem CID60834441
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid
SMILESCCC(C)N1C(=O)CC(N(CC(=O)O)C2CCCC2)C1=O
InChIInChI=1S/C15H24N2O4/c1-3-10(2)17-13(18)8-12(15(17)21)16(9-14(19)20)11-6-4-5-7-11/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyPWYRWALSOQVAET-UHFFFAOYSA-N
XLogP1.24
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.24
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

3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 54925654
2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 60834519
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid
CID 61011616
1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 43638750
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid
CID 63066080
2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid
CID 61010572
2-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)sulfanylacetic acid
CID 43638328
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)-propylamino]acetic acid
CID 61008700
2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 107440384
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 107426067

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid (CID 60834441) is 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid is CCC(C)N1C(=O)CC(N(CC(=O)O)C2CCCC2)C1=O.
What is the InChIKey of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid?
The InChIKey is PWYRWALSOQVAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-10(2)17-13(18)8-12(15(17)21)16(9-14(19)20)11-6-4-5-7-11/h10-12H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid?
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid is sourced from PubChem (CID 60834441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).