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

C10H16N4O3 — CID 71036406

IUPAC(2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid
SMILESCCn1cc(CO[C@H]2CN[C@H](C(=O)O)C2)nn1
InChIInChI=1S/C10H16N4O3/c1-2-14-5-7(12-13-14)6-17-8-3-9(10(15)16)11-4-8/h5,8-9,11H,2-4,6H2,1H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyLCJUSDYWEVOTEE-BDAKNGLRSA-N
MW240.26 g/mol
LogP-0.37
Rot. Bonds5

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

(2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid (PubChem CID 71036406) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid
PubChem CID71036406
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid
SMILESCCn1cc(CO[C@H]2CN[C@H](C(=O)O)C2)nn1
InChIInChI=1S/C10H16N4O3/c1-2-14-5-7(12-13-14)6-17-8-3-9(10(15)16)11-4-8/h5,8-9,11H,2-4,6H2,1H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyLCJUSDYWEVOTEE-BDAKNGLRSA-N
XLogP-0.37
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid (CID 71036406) is (2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid is CCn1cc(CO[C@H]2CN[C@H](C(=O)O)C2)nn1.
What is the InChIKey of (2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid?
The InChIKey is LCJUSDYWEVOTEE-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-14-5-7(12-13-14)6-17-8-3-9(10(15)16)11-4-8/h5,8-9,11H,2-4,6H2,1H3,(H,15,16)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(1-ethyltriazol-4-yl)methoxy]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71036406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).