3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid

C10H17NO5 — CID 139214878

IUPAC3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)CC1(C(=O)O)NC(=O)C(C)(O)C1O
InChIInChI=1S/C10H17NO5/c1-5(2)4-10(8(14)15)6(12)9(3,16)7(13)11-10/h5-6,12,16H,4H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyHOTNMTPXBLSLJR-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.90
Rot. Bonds3

About 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid

3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 139214878) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID139214878
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)CC1(C(=O)O)NC(=O)C(C)(O)C1O
InChIInChI=1S/C10H17NO5/c1-5(2)4-10(8(14)15)6(12)9(3,16)7(13)11-10/h5-6,12,16H,4H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyHOTNMTPXBLSLJR-UHFFFAOYSA-N
XLogP-0.90
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid (CID 139214878) is 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid is CC(C)CC1(C(=O)O)NC(=O)C(C)(O)C1O.
What is the InChIKey of 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is HOTNMTPXBLSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-5(2)4-10(8(14)15)6(12)9(3,16)7(13)11-10/h5-6,12,16H,4H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid?
3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 139214878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).