4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid

C13H24N2O3 — CID 54925850

IUPAC4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CC(=O)N1CCCC1
InChIInChI=1S/C13H24N2O3/c1-11(2)15(9-5-6-13(17)18)10-12(16)14-7-3-4-8-14/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyYAJZEMFKWVZMBF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.18
Rot. Bonds7

About 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid

4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid (PubChem CID 54925850) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
PubChem CID54925850
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CC(=O)N1CCCC1
InChIInChI=1S/C13H24N2O3/c1-11(2)15(9-5-6-13(17)18)10-12(16)14-7-3-4-8-14/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyYAJZEMFKWVZMBF-UHFFFAOYSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834906
3-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]propanethioamide
CID 54996516
3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834885
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 113406371
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62020113
3-[2-carboxyethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
CID 82327027
4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834108
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-methylamino]butanoic acid
CID 55005650

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid (CID 54925850) is 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)CC(=O)N1CCCC1.
What is the InChIKey of 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid?
The InChIKey is YAJZEMFKWVZMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(2)15(9-5-6-13(17)18)10-12(16)14-7-3-4-8-14/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid?
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 54925850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).