(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid

C7H11NO3 — CID 67458673

IUPAC(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1CC(=O)N(C)[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO3/c1-4-3-5(9)8(2)6(4)7(10)11/h4,6H,3H2,1-2H3,(H,10,11)/t4?,6-/m0/s1
InChIKeyGUKOSMUSSBCXIB-RZKHNPSRSA-N
MW157.17 g/mol
LogP-0.06
Rot. Bonds1

About (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid

(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 67458673) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID67458673
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1CC(=O)N(C)[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO3/c1-4-3-5(9)8(2)6(4)7(10)11/h4,6H,3H2,1-2H3,(H,10,11)/t4?,6-/m0/s1
InChIKeyGUKOSMUSSBCXIB-RZKHNPSRSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-L-proline
CID 66141
N-acetyl-D-proline
CID 719436
DL-Acetylproline
CID 322640
1-(2,2-Dimethylpropanoyl)pyrrolidine-2-carboxylic acid
CID 2740698
L-Proline, 1-(2-cyanoethyl)-5-oxo-
CID 95068
1-(4-Carboxy-2-methyl-butyryl)-pyrrolidine-2-carboxylic acid
CID 44317192
1-Butanoylpyrrolidine-2-carboxylic acid
CID 90941
3-Methyl-5-oxopyrrolidine-2-carboxylic acid
CID 256625
Isobutyrylproline
CID 15324300
1-Propionylpyrrolidine-2-carboxylic acid
CID 3614637
1-Acetyl-5-oxo-L-proline
CID 12735676
1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-
CID 104412

Frequently Asked Questions

What is the IUPAC name of (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid (CID 67458673) is (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid is CC1CC(=O)N(C)[C@@H]1C(=O)O.
What is the InChIKey of (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is GUKOSMUSSBCXIB-RZKHNPSRSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-3-5(9)8(2)6(4)7(10)11/h4,6H,3H2,1-2H3,(H,10,11)/t4?,6-/m0/s1.
What are the key properties of (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67458673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).