5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid

C7H13NO4 — CID 18336802

IUPAC5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid
SMILESCCC1NC(C(=O)O)C(O)C1O
InChIInChI=1S/C7H13NO4/c1-2-3-5(9)6(10)4(8-3)7(11)12/h3-6,8-10H,2H2,1H3,(H,11,12)
InChIKeyGELUFAVUCGIWQW-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.46
Rot. Bonds2

About 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid

5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid (PubChem CID 18336802) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid
PubChem CID18336802
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid
SMILESCCC1NC(C(=O)O)C(O)C1O
InChIInChI=1S/C7H13NO4/c1-2-3-5(9)6(10)4(8-3)7(11)12/h3-6,8-10H,2H2,1H3,(H,11,12)
InChIKeyGELUFAVUCGIWQW-UHFFFAOYSA-N
XLogP-1.46
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid (CID 18336802) is 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid is CCC1NC(C(=O)O)C(O)C1O.
What is the InChIKey of 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid?
The InChIKey is GELUFAVUCGIWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-2-3-5(9)6(10)4(8-3)7(11)12/h3-6,8-10H,2H2,1H3,(H,11,12).
What are the key properties of 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid?
5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of -1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18336802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).