(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid

C10H17NO3 — CID 82397843

IUPAC(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)C[C@H](C(=O)O)[C@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-4-11-8(12)5-7(10(13)14)9(11)6(2)3/h6-7,9H,4-5H2,1-3H3,(H,13,14)/t7-,9+/m0/s1
InChIKeySYPKGEUKKFHMEM-IONNQARKSA-N
MW199.25 g/mol
LogP0.96
Rot. Bonds3

About (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid

(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 82397843) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID82397843
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)C[C@H](C(=O)O)[C@H]1C(C)C
InChIInChI=1S/C10H17NO3/c1-4-11-8(12)5-7(10(13)14)9(11)6(2)3/h6-7,9H,4-5H2,1-3H3,(H,13,14)/t7-,9+/m0/s1
InChIKeySYPKGEUKKFHMEM-IONNQARKSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510189
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
(1S,5R,7S)-2-ethyl-3-oxo-2-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 129413536
1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid
CID 130815234
(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217785
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 16765282
(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510159
2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 83682880
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 122155895
(2R,3S)-1-dodecyl-5-oxo-2-undecylpyrrolidine-3-carboxylic acid
CID 171432322

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid (CID 82397843) is (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid is CCN1C(=O)C[C@H](C(=O)O)[C@H]1C(C)C.
What is the InChIKey of (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is SYPKGEUKKFHMEM-IONNQARKSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-11-8(12)5-7(10(13)14)9(11)6(2)3/h6-7,9H,4-5H2,1-3H3,(H,13,14)/t7-,9+/m0/s1.
What are the key properties of (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid?
(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82397843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).