6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid

C11H19NO4 — CID 168663010

IUPAC6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
SMILESO=C(O)CCCCCN1CC(CO)CC1=O
InChIInChI=1S/C11H19NO4/c13-8-9-6-10(14)12(7-9)5-3-1-2-4-11(15)16/h9,13H,1-8H2,(H,15,16)
InChIKeyKFCZEOKVNRYYIW-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.47
Rot. Bonds7

About 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid

6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid (PubChem CID 168663010) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
PubChem CID168663010
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
SMILESO=C(O)CCCCCN1CC(CO)CC1=O
InChIInChI=1S/C11H19NO4/c13-8-9-6-10(14)12(7-9)5-3-1-2-4-11(15)16/h9,13H,1-8H2,(H,15,16)
InChIKeyKFCZEOKVNRYYIW-UHFFFAOYSA-N
XLogP0.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114
7-(2-oxo-4-sulfanylpyrrolidin-1-yl)heptanoic acid
CID 168709291
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198
7-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168714799
4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
CID 168663026
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
4-(hydroxymethyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-2-one
CID 168661946
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106339803
4-(hydroxymethyl)-1-(3-phenylsulfanylpropyl)pyrrolidin-2-one
CID 168663037
N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 168662030
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid?
The IUPAC name of 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid (CID 168663010) is 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid.
What is the SMILES notation for 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid?
The canonical SMILES for 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid is O=C(O)CCCCCN1CC(CO)CC1=O.
What is the InChIKey of 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid?
The InChIKey is KFCZEOKVNRYYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-8-9-6-10(14)12(7-9)5-3-1-2-4-11(15)16/h9,13H,1-8H2,(H,15,16).
What are the key properties of 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid?
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid is sourced from PubChem (CID 168663010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).