10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one

C16H28N4O3 — CID 146175252

IUPAC10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one
SMILESC[C@@H](O)C(C(=O)N1CCCC1)N1NCCCC2(CCCN2)C1=O
InChIInChI=1S/C16H28N4O3/c1-12(21)13(14(22)19-10-2-3-11-19)20-15(23)16(6-4-8-17-16)7-5-9-18-20/h12-13,17-18,21H,2-11H2,1H3/t12-,13?,16?/m1/s1
InChIKeyNWJKZXBVTDEOCU-VEAWUBTESA-N
MW324.43 g/mol
LogP-0.39
Rot. Bonds3

About 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one

10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one (PubChem CID 146175252) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one.

Molecular Properties

Compound Name10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one
PubChem CID146175252
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one
SMILESC[C@@H](O)C(C(=O)N1CCCC1)N1NCCCC2(CCCN2)C1=O
InChIInChI=1S/C16H28N4O3/c1-12(21)13(14(22)19-10-2-3-11-19)20-15(23)16(6-4-8-17-16)7-5-9-18-20/h12-13,17-18,21H,2-11H2,1H3/t12-,13?,16?/m1/s1
InChIKeyNWJKZXBVTDEOCU-VEAWUBTESA-N
XLogP-0.39
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one?
The IUPAC name of 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one (CID 146175252) is 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one.
What is the SMILES notation for 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one?
The canonical SMILES for 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one is C[C@@H](O)C(C(=O)N1CCCC1)N1NCCCC2(CCCN2)C1=O.
What is the InChIKey of 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one?
The InChIKey is NWJKZXBVTDEOCU-VEAWUBTESA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12(21)13(14(22)19-10-2-3-11-19)20-15(23)16(6-4-8-17-16)7-5-9-18-20/h12-13,17-18,21H,2-11H2,1H3/t12-,13?,16?/m1/s1.
What are the key properties of 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one?
10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one has a molecular weight of 324.43 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one is sourced from PubChem (CID 146175252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).