2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid

C12H21NO5 — CID 70061701

IUPAC2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESCC(CCC1CCN(CC(=O)O)C1=O)C(O)CO
InChIInChI=1S/C12H21NO5/c1-8(10(15)7-14)2-3-9-4-5-13(12(9)18)6-11(16)17/h8-10,14-15H,2-7H2,1H3,(H,16,17)
InChIKeyYWSRIPDKCCEYQW-UHFFFAOYSA-N
MW259.30 g/mol
LogP-0.31
Rot. Bonds7

About 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid

2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid (PubChem CID 70061701) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid
PubChem CID70061701
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESCC(CCC1CCN(CC(=O)O)C1=O)C(O)CO
InChIInChI=1S/C12H21NO5/c1-8(10(15)7-14)2-3-9-4-5-13(12(9)18)6-11(16)17/h8-10,14-15H,2-7H2,1H3,(H,16,17)
InChIKeyYWSRIPDKCCEYQW-UHFFFAOYSA-N
XLogP-0.31
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetate
CID 57297834
(2S)-1-(2,3-dihydroxypropyl)-5-oxopyrrolidine-2-carboxylic acid;16-methylheptadecanoic acid
CID 71238383
2-[1-Ethyl-4-(oxan-2-yl)-2-oxopyrrolidin-1-ium-1-yl]acetic acid
CID 21284020
7-(1-Butyl-4-(3-hydroxyoctyl)-2-oxopyrrolidin-3-yl)heptanoic acid
CID 71387640
7-(4-(3-Hydroxyoctyl)-1-methyl-2-oxopyrrolidin-3-yl)heptanoic acid
CID 71387641
4-(3,4-Dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106670974
2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid
CID 107214695
2-(3,4-Dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 113862375
cis-(1R,2S)-2-(3,4-dihydroxypyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093185
cis-(1R,2S)-2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114093232
4-[2-[[(2R)-2-hydroxypropyl]-methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 146133422
2-Cyclohexyl-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
CID 168701632

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid (CID 70061701) is 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid is CC(CCC1CCN(CC(=O)O)C1=O)C(O)CO.
What is the InChIKey of 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is YWSRIPDKCCEYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-8(10(15)7-14)2-3-9-4-5-13(12(9)18)6-11(16)17/h8-10,14-15H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid?
2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 259.30 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dihydroxy-3-methylpentyl)-2-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 70061701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).