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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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).