1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid

C10H17NO4 — CID 83192927

IUPAC1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(O)CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO4/c1-10(2,15)3-4-11-6-7(9(13)14)5-8(11)12/h7,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyIDLXSBYFFBGVHA-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.08
Rot. Bonds4

About 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 83192927) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID83192927
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(O)CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO4/c1-10(2,15)3-4-11-6-7(9(13)14)5-8(11)12/h7,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyIDLXSBYFFBGVHA-UHFFFAOYSA-N
XLogP0.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 103034262
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
5-oxo-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 115515986
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690461
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63983679
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485
tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 20594915

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid (CID 83192927) is 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid is CC(C)(O)CCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is IDLXSBYFFBGVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,15)3-4-11-6-7(9(13)14)5-8(11)12/h7,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83192927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).