1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H19NO4 — CID 112744938

IUPAC1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C13H19NO4/c15-9-5-10(13(17)18)14(6-9)12(16)11(7-1-2-7)8-3-4-8/h7-11,15H,1-6H2,(H,17,18)
InChIKeyJQNIBOFVANJCKS-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.47
Rot. Bonds4

About 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 112744938) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID112744938
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C13H19NO4/c15-9-5-10(13(17)18)14(6-9)12(16)11(7-1-2-7)8-3-4-8/h7-11,15H,1-6H2,(H,17,18)
InChIKeyJQNIBOFVANJCKS-UHFFFAOYSA-N
XLogP0.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54446470
(2S,4R)-1-(4-carboxy-2-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 70609607
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103929460
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2S,4R)-1-(2-amino-4-carboxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64890910
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 168776357
(2S,4R)-1-(1-cyclopropylpropan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63995741
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 112744938) is 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)C(C1CC1)C1CC1.
What is the InChIKey of 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is JQNIBOFVANJCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-9-5-10(13(17)18)14(6-9)12(16)11(7-1-2-7)8-3-4-8/h7-11,15H,1-6H2,(H,17,18).
What are the key properties of 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112744938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).