N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide

C15H27N5O2 — CID 128981193

IUPACN-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCC(C)n1cc(C2(O)CCN(CC(=O)NC(C)(C)C)C2)nn1
InChIInChI=1S/C15H27N5O2/c1-11(2)20-8-12(17-18-20)15(22)6-7-19(10-15)9-13(21)16-14(3,4)5/h8,11,22H,6-7,9-10H2,1-5H3,(H,16,21)
InChIKeyDBRWZKJSNCJKFO-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.67
Rot. Bonds4

About N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide

N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 128981193) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID128981193
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCC(C)n1cc(C2(O)CCN(CC(=O)NC(C)(C)C)C2)nn1
InChIInChI=1S/C15H27N5O2/c1-11(2)20-8-12(17-18-20)15(22)6-7-19(10-15)9-13(21)16-14(3,4)5/h8,11,22H,6-7,9-10H2,1-5H3,(H,16,21)
InChIKeyDBRWZKJSNCJKFO-UHFFFAOYSA-N
XLogP0.67
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide (CID 128981193) is N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide is CC(C)n1cc(C2(O)CCN(CC(=O)NC(C)(C)C)C2)nn1.
What is the InChIKey of N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is DBRWZKJSNCJKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(2)20-8-12(17-18-20)15(22)6-7-19(10-15)9-13(21)16-14(3,4)5/h8,11,22H,6-7,9-10H2,1-5H3,(H,16,21).
What are the key properties of N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide?
N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128981193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).