OTWHTVDVKUBDNN-CQSZACIVSA-N

Name: OTWHTVDVKUBDNN-CQSZACIVSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₈F₃N₃O₄ — CID 151388230

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3S)-3-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]phenyl]pyrrolidine-1-carboxylic acid

SMILESO=C(Nc1ccc([C@@H]2CCN(C(=O)O)C2)cc1)c1ccc(OCC(F)(F)F)nc1

InChIInChI=1S/C19H18F3N3O4/c20-19(21,22)11-29-16-6-3-13(9-23-16)17(26)24-15-4-1-12(2-5-15)14-7-8-25(10-14)18(27)28/h1-6,9,14H,7-8,10-11H2,(H,24,26)(H,27,28)/t14-/m1/s1

InChIKeyOTWHTVDVKUBDNN-CQSZACIVSA-N

MW409.36 g/mol

LogP3.74

Rot. Bonds5

About OTWHTVDVKUBDNN-CQSZACIVSA-N

OTWHTVDVKUBDNN-CQSZACIVSA-N (PubChem CID 151388230) has the molecular formula C₁₉H₁₈F₃N₃O₄ and a molecular weight of 409.36 g/mol. Its IUPAC name is (3S)-3-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]phenyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name	OTWHTVDVKUBDNN-CQSZACIVSA-N
PubChem CID	151388230
Molecular Formula	C₁₉H₁₈F₃N₃O₄
Molecular Weight	409.36 g/mol
Exact Mass	409.12
IUPAC Name	(3S)-3-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]phenyl]pyrrolidine-1-carboxylic acid
SMILES	O=C(Nc1ccc([C@@H]2CCN(C(=O)O)C2)cc1)c1ccc(OCC(F)(F)F)nc1
InChI	InChI=1S/C19H18F3N3O4/c20-19(21,22)11-29-16-6-3-13(9-23-16)17(26)24-15-4-1-12(2-5-15)14-7-8-25(10-14)18(27)28/h1-6,9,14H,7-8,10-11H2,(H,24,26)(H,27,28)/t14-/m1/s1
InChIKey	OTWHTVDVKUBDNN-CQSZACIVSA-N
XLogP	3.74
TPSA	91.76 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.36
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of OTWHTVDVKUBDNN-CQSZACIVSA-N?

The IUPAC name of OTWHTVDVKUBDNN-CQSZACIVSA-N (CID 151388230) is (3S)-3-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]phenyl]pyrrolidine-1-carboxylic acid.

What is the SMILES notation for OTWHTVDVKUBDNN-CQSZACIVSA-N?

The canonical SMILES for OTWHTVDVKUBDNN-CQSZACIVSA-N is O=C(Nc1ccc([C@@H]2CCN(C(=O)O)C2)cc1)c1ccc(OCC(F)(F)F)nc1.

What is the InChIKey of OTWHTVDVKUBDNN-CQSZACIVSA-N?

The InChIKey is OTWHTVDVKUBDNN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c20-19(21,22)11-29-16-6-3-13(9-23-16)17(26)24-15-4-1-12(2-5-15)14-7-8-25(10-14)18(27)28/h1-6,9,14H,7-8,10-11H2,(H,24,26)(H,27,28)/t14-/m1/s1.

What are the key properties of OTWHTVDVKUBDNN-CQSZACIVSA-N?

OTWHTVDVKUBDNN-CQSZACIVSA-N has a molecular weight of 409.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for OTWHTVDVKUBDNN-CQSZACIVSA-N is sourced from PubChem (CID 151388230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 151388230 — identifiers, structure, computed properties (public domain)

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