3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid

C10H17NO4 — CID 168661652

IUPAC3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)N1CC(CO)CC1=O
InChIInChI=1S/C10H17NO4/c1-2-8(4-10(14)15)11-5-7(6-12)3-9(11)13/h7-8,12H,2-6H2,1H3,(H,14,15)
InChIKeyKURNBDSMQHRXEF-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.08
Rot. Bonds5

About 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid

3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid (PubChem CID 168661652) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
PubChem CID168661652
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)N1CC(CO)CC1=O
InChIInChI=1S/C10H17NO4/c1-2-8(4-10(14)15)11-5-7(6-12)3-9(11)13/h7-8,12H,2-6H2,1H3,(H,14,15)
InChIKeyKURNBDSMQHRXEF-UHFFFAOYSA-N
XLogP0.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxo-4-sulfanylpyrrolidin-1-yl)pentanoic acid
CID 168707686
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
4-amino-1-[(2R)-1-hydroxybutan-2-yl]pyrrolidin-2-one
CID 130617471
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
tert-butyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanoate
CID 22387022
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094
1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 130979524
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168658772
2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661742
(2S)-5-ethoxy-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-oxopentanoic acid
CID 168661674
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
The IUPAC name of 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid (CID 168661652) is 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid.
What is the SMILES notation for 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
The canonical SMILES for 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid is CCC(CC(=O)O)N1CC(CO)CC1=O.
What is the InChIKey of 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
The InChIKey is KURNBDSMQHRXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-8(4-10(14)15)11-5-7(6-12)3-9(11)13/h7-8,12H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid is sourced from PubChem (CID 168661652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).