3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C11H15NO4 — CID 91595486

IUPAC3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(Cn2c(O)ccc2O)C1C(=O)O
InChIInChI=1S/C11H15NO4/c1-11(2)6(9(11)10(15)16)5-12-7(13)3-4-8(12)14/h3-4,6,9,13-14H,5H2,1-2H3,(H,15,16)
InChIKeyJFPPWLPWAYNKDL-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.26
Rot. Bonds3

About 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 91595486) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID91595486
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(Cn2c(O)ccc2O)C1C(=O)O
InChIInChI=1S/C11H15NO4/c1-11(2)6(9(11)10(15)16)5-12-7(13)3-4-8(12)14/h3-4,6,9,13-14H,5H2,1-2H3,(H,15,16)
InChIKeyJFPPWLPWAYNKDL-UHFFFAOYSA-N
XLogP1.26
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-Dihydroxypyrrol-1-yl)-2-methylidenepentanoic acid
CID 53706268
1-(2,5-Dihydroxypyrrol-1-yl)-3-methylhexane-2,5-dione
CID 53780640
2-Bromo-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 53864761
4-(2,5-Dihydroxypyrrol-1-yl)butanoic acid
CID 53867299
2-[4-(2,5-Dihydroxypyrrol-1-yl)butyl]tetradecanoic acid
CID 53923891
3-(2,5-Dihydroxypyrrol-1-yl)-2,2-dimethylpropanoic acid
CID 53929637
2-(Bromomethyl)-5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54073359
6-(2,5-Dihydroxypyrrol-1-yl)hexaneperoxoic acid
CID 54152138
5-(2,5-Dihydroxypyrrol-1-yl)pentanoic acid
CID 54349223
4-(2,5-Dihydroxypyrrol-1-yl)butaneperoxoic acid
CID 54435565
Ethyl 5-(2,5-dihydroxypyrrol-1-yl)pentanoate
CID 54461942
1-(2,5-Dihydroxypyrrol-1-yl)-3-ethylhexane-2,5-dione
CID 54468001

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 91595486) is 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(Cn2c(O)ccc2O)C1C(=O)O.
What is the InChIKey of 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is JFPPWLPWAYNKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2)6(9(11)10(15)16)5-12-7(13)3-4-8(12)14/h3-4,6,9,13-14H,5H2,1-2H3,(H,15,16).
What are the key properties of 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dihydroxypyrrol-1-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 91595486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).