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

C11H16N2O6 — CID 166715042

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
SMILESO=C(CCN1C(=O)CCC1O)ON1C(=O)CCC1O
InChIInChI=1S/C11H16N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h7,9,14,16H,1-6H2
InChIKeyAHHNXXMBVHFBOK-UHFFFAOYSA-N
MW272.26 g/mol
LogP-1.28
Rot. Bonds4

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

(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate (PubChem CID 166715042) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
PubChem CID166715042
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
SMILESO=C(CCN1C(=O)CCC1O)ON1C(=O)CCC1O
InChIInChI=1S/C11H16N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h7,9,14,16H,1-6H2
InChIKeyAHHNXXMBVHFBOK-UHFFFAOYSA-N
XLogP-1.28
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(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) 3-(butanoylamino)propanoate
CID 129151276
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036
5-hydroxy-1-pentylpyrrolidin-2-one
CID 14686205
5-hydroxy-1-(2-methoxyethyl)pyrrolidin-2-one
CID 148668115
(2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
CID 123353535
(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 88868762
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
CID 156562908
2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 121375125
(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) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
CID 153387061

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate (CID 166715042) is (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate is O=C(CCN1C(=O)CCC1O)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate?
The InChIKey is AHHNXXMBVHFBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h7,9,14,16H,1-6H2.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate has a molecular weight of 272.26 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 166715042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).