(2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C16H24N4O4 — CID 163300503

IUPAC(2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(C(=O)N1C[C@H](O)C[C@H]1C(=O)O)n1cc(C2CC2)nn1
InChIInChI=1S/C16H24N4O4/c1-16(2,3)13(20-8-11(17-18-20)9-4-5-9)14(22)19-7-10(21)6-12(19)15(23)24/h8-10,12-13,21H,4-7H2,1-3H3,(H,23,24)/t10-,12+,13?/m1/s1
InChIKeyKULUSRCYSCBVBU-FVBASEICSA-N
MW336.39 g/mol
LogP0.79
Rot. Bonds4

About (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 163300503) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID163300503
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(C(=O)N1C[C@H](O)C[C@H]1C(=O)O)n1cc(C2CC2)nn1
InChIInChI=1S/C16H24N4O4/c1-16(2,3)13(20-8-11(17-18-20)9-4-5-9)14(22)19-7-10(21)6-12(19)15(23)24/h8-10,12-13,21H,4-7H2,1-3H3,(H,23,24)/t10-,12+,13?/m1/s1
InChIKeyKULUSRCYSCBVBU-FVBASEICSA-N
XLogP0.79
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 163300503) is (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC(C)(C)C(C(=O)N1C[C@H](O)C[C@H]1C(=O)O)n1cc(C2CC2)nn1.
What is the InChIKey of (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is KULUSRCYSCBVBU-FVBASEICSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-16(2,3)13(20-8-11(17-18-20)9-4-5-9)14(22)19-7-10(21)6-12(19)15(23)24/h8-10,12-13,21H,4-7H2,1-3H3,(H,23,24)/t10-,12+,13?/m1/s1.
What are the key properties of (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 163300503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).