1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid

C11H17NO4 — CID 168662973

IUPAC1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
SMILESO=C1CC(CO)CN1C1(C(=O)O)CCCC1
InChIInChI=1S/C11H17NO4/c13-7-8-5-9(14)12(6-8)11(10(15)16)3-1-2-4-11/h8,13H,1-7H2,(H,15,16)
InChIKeyREDXPJLQBVGJSJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.22
Rot. Bonds3

About 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid

1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid (PubChem CID 168662973) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
PubChem CID168662973
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
SMILESO=C1CC(CO)CN1C1(C(=O)O)CCCC1
InChIInChI=1S/C11H17NO4/c13-7-8-5-9(14)12(6-8)11(10(15)16)3-1-2-4-11/h8,13H,1-7H2,(H,15,16)
InChIKeyREDXPJLQBVGJSJ-UHFFFAOYSA-N
XLogP0.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopropane-1-carboxylic acid
CID 168662970
1-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 168657093
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 168661891
1-(1-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691308
1-(2-oxo-4-sulfanylpyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168709235
1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168714744
2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661742
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662020
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
CID 168662991
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid (CID 168662973) is 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid is O=C1CC(CO)CN1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid?
The InChIKey is REDXPJLQBVGJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-7-8-5-9(14)12(6-8)11(10(15)16)3-1-2-4-11/h8,13H,1-7H2,(H,15,16).
What are the key properties of 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid?
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 168662973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).