(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate

C11H18N2O5 — CID 129151276

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate
SMILESCCCC(=O)NCCC(=O)ON1C(=O)CCC1O
InChIInChI=1S/C11H18N2O5/c1-2-3-8(14)12-7-6-11(17)18-13-9(15)4-5-10(13)16/h9,15H,2-7H2,1H3,(H,12,14)
InChIKeyKBGVVNNFQSLUEL-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.31
Rot. Bonds6

About (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate

(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate (PubChem CID 129151276) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate
PubChem CID129151276
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate
SMILESCCCC(=O)NCCC(=O)ON1C(=O)CCC1O
InChIInChI=1S/C11H18N2O5/c1-2-3-8(14)12-7-6-11(17)18-13-9(15)4-5-10(13)16/h9,15H,2-7H2,1H3,(H,12,14)
InChIKeyKBGVVNNFQSLUEL-UHFFFAOYSA-N
XLogP-0.31
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
CID 89325456
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
CID 148605388
(2-hydroxy-5-oxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate
CID 129183103
(2-hydroxy-5-oxopyrrolidin-1-yl) 6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoate
CID 123517217
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 129271799
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino](2,3-13C2)propanoyl(15N)amino](113C)propanoate
CID 86291041
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoylamino](313C)propanoate
CID 121340841
(2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate
CID 126576248
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethyl(115N)azolidin-1-yl)acetyl]amino]propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-ethyl(115N)azolidin-1-yl)acetyl](15N)amino](113C)propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-ethyl(115N)azolidin-1-yl)acetyl](15N)amino](113C)propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(213C)ethyl(115N)azolidin-1-yl)acetyl]amino]propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethylpyrrolidin-1-yl)acetyl]amino]propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-ethylpyrrolidin-1-yl)acetyl](15N)amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-ethylpyrrolidin-1-yl)acetyl](15N)amino](113C)propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(213C)ethylpyrrolidin-1-yl)acetyl](15N)amino](113C)propanoyl(15N)amino](1,2,3-13C3)propanoate
CID 158481678
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethyl(2,3,4,5-13C4)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethyl(2,3,4,5-13C4,115N)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(113C)ethyl(2,3,4,5-13C4)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(113C)ethyl(2,3,4,5-13C4,115N)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(113C)ethyl(2,3,4,5-13C4,115N)azolidin-1-yl)acetyl]amino]propanoylamino](113C)propanoate
CID 160797530

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate (CID 129151276) is (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate is CCCC(=O)NCCC(=O)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate?
The InChIKey is KBGVVNNFQSLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-2-3-8(14)12-7-6-11(17)18-13-9(15)4-5-10(13)16/h9,15H,2-7H2,1H3,(H,12,14).
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate has a molecular weight of 258.27 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate is sourced from PubChem (CID 129151276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).