1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid

C12H21NO4 — CID 106116549

IUPAC1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCC(CCO)CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H21NO4/c1-2-3-9(4-5-14)7-13-8-10(12(16)17)6-11(13)15/h9-10,14H,2-8H2,1H3,(H,16,17)
InChIKeyMAZTWPPBCPOGGY-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.72
Rot. Bonds7

About 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 106116549) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID106116549
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCC(CCO)CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H21NO4/c1-2-3-9(4-5-14)7-13-8-10(12(16)17)6-11(13)15/h9-10,14H,2-8H2,1H3,(H,16,17)
InChIKeyMAZTWPPBCPOGGY-UHFFFAOYSA-N
XLogP0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid (CID 106116549) is 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid is CCCC(CCO)CN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is MAZTWPPBCPOGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-3-9(4-5-14)7-13-8-10(12(16)17)6-11(13)15/h9-10,14H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pentyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106116549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).