(2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid

C7H11NO3 — CID 15604674

IUPAC(2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)NC(=O)[C@@H]1C
InChIInChI=1S/C7H11NO3/c1-3-4(2)6(9)8-5(3)7(10)11/h3-5H,1-2H3,(H,8,9)(H,10,11)/t3-,4+,5-/m0/s1
InChIKeyLBIUUNLXZPGHBA-LMVFSUKVSA-N
MW157.17 g/mol
LogP-0.16
Rot. Bonds1

About (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid

(2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 15604674) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID15604674
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)NC(=O)[C@@H]1C
InChIInChI=1S/C7H11NO3/c1-3-4(2)6(9)8-5(3)7(10)11/h3-5H,1-2H3,(H,8,9)(H,10,11)/t3-,4+,5-/m0/s1
InChIKeyLBIUUNLXZPGHBA-LMVFSUKVSA-N
XLogP-0.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid (CID 15604674) is (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid is C[C@@H]1[C@@H](C(=O)O)NC(=O)[C@@H]1C.
What is the InChIKey of (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is LBIUUNLXZPGHBA-LMVFSUKVSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4(2)6(9)8-5(3)7(10)11/h3-5H,1-2H3,(H,8,9)(H,10,11)/t3-,4+,5-/m0/s1.
What are the key properties of (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
(2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15604674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).