1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid

C8H13NO4 — CID 12919062

IUPAC1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(10)7(11)9-4-2-3-6(9)8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13)
InChIKeyJFSJTTPJLNOARZ-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.56
Rot. Bonds2

About 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid

1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 12919062) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID12919062
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(10)7(11)9-4-2-3-6(9)8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13)
InChIKeyJFSJTTPJLNOARZ-UHFFFAOYSA-N
XLogP-0.56
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 56605024
(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-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
(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-[2-(disulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 58153789
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid (CID 12919062) is 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid is CC(O)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JFSJTTPJLNOARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(10)7(11)9-4-2-3-6(9)8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13).
What are the key properties of 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid?
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12919062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).