(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid

C9H15NO4 — CID 131497998

IUPAC(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(O)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-7(11)8(12)10-5-3-4-6(10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyXOPACCYHDVZHCH-PKPIPKONSA-N
MW201.22 g/mol
LogP-0.17
Rot. Bonds3

About (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 131497998) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID131497998
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(O)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-7(11)8(12)10-5-3-4-6(10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)/t6-,7?/m0/s1
InChIKeyXOPACCYHDVZHCH-PKPIPKONSA-N
XLogP-0.17
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 56605024
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
CID 78921934
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
(2S)-1-(pentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61187396
1-[(2S)-2-methyl-3-methylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 69024152
(2R)-1-[(2R,5S)-6-[(2R)-2-carboxypyrrolidin-1-yl]-2,5-dimethoxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 57302101

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid (CID 131497998) is (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid is CCC(O)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XOPACCYHDVZHCH-PKPIPKONSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-7(11)8(12)10-5-3-4-6(10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)/t6-,7?/m0/s1.
What are the key properties of (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 131497998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).