1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid

C9H15NO5 — CID 56605024

IUPAC1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)C(O)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H15NO5/c1-5(11)7(12)8(13)10-4-2-3-6(10)9(14)15/h5-7,11-12H,2-4H2,1H3,(H,14,15)
InChIKeyIYAOVDMQZVFWFP-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.20
Rot. Bonds3

About 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid

1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 56605024) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID56605024
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)C(O)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H15NO5/c1-5(11)7(12)8(13)10-4-2-3-6(10)9(14)15/h5-7,11-12H,2-4H2,1H3,(H,14,15)
InChIKeyIYAOVDMQZVFWFP-UHFFFAOYSA-N
XLogP-1.20
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(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-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 131497998
(2S)-1-[(2S)-2-methyl-3-nitroso-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 174915963
(2S)-1-[2-(disulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 58153789
1-[(2S)-2-methyl-3-methylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 69024152
(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]diselanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 53343050

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid (CID 56605024) is 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid is CC(O)C(O)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IYAOVDMQZVFWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-5(11)7(12)8(13)10-4-2-3-6(10)9(14)15/h5-7,11-12H,2-4H2,1H3,(H,14,15).
What are the key properties of 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid?
1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 56605024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).