(2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid

C11H18N4O4 — CID 59188295

IUPAC(2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid
SMILESCOCCn1cc(CO[C@H]2CN[C@H](C(=O)O)C2)nn1
InChIInChI=1S/C11H18N4O4/c1-18-3-2-15-6-8(13-14-15)7-19-9-4-10(11(16)17)12-5-9/h6,9-10,12H,2-5,7H2,1H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyNQQXBDMYAZBYAG-ZJUUUORDSA-N
MW270.29 g/mol
LogP-0.74
Rot. Bonds7

About (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid

(2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid (PubChem CID 59188295) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid
PubChem CID59188295
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name(2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid
SMILESCOCCn1cc(CO[C@H]2CN[C@H](C(=O)O)C2)nn1
InChIInChI=1S/C11H18N4O4/c1-18-3-2-15-6-8(13-14-15)7-19-9-4-10(11(16)17)12-5-9/h6,9-10,12H,2-5,7H2,1H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyNQQXBDMYAZBYAG-ZJUUUORDSA-N
XLogP-0.74
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid (CID 59188295) is (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid is COCCn1cc(CO[C@H]2CN[C@H](C(=O)O)C2)nn1.
What is the InChIKey of (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid?
The InChIKey is NQQXBDMYAZBYAG-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-18-3-2-15-6-8(13-14-15)7-19-9-4-10(11(16)17)12-5-9/h6,9-10,12H,2-5,7H2,1H3,(H,16,17)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of -0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[[1-(2-methoxyethyl)triazol-4-yl]methoxy]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59188295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).