(10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid

C21H28N2O4 — CID 155271150

IUPAC(10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)N1CC[C@@](O)(CN2C[C@@H](c3ccccc3)CC2=O)C2(CCCC2)C1
InChIInChI=1S/C21H28N2O4/c24-18-12-17(16-6-2-1-3-7-16)13-23(18)15-21(27)10-11-22(19(25)26)14-20(21)8-4-5-9-20/h1-3,6-7,17,27H,4-5,8-15H2,(H,25,26)/t17-,21+/m0/s1
InChIKeyFYYHZGVSXZDMRM-LAUBAEHRSA-N
MW372.47 g/mol
LogP2.68
Rot. Bonds3

About (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid

(10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid (PubChem CID 155271150) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name(10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
PubChem CID155271150
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)N1CC[C@@](O)(CN2C[C@@H](c3ccccc3)CC2=O)C2(CCCC2)C1
InChIInChI=1S/C21H28N2O4/c24-18-12-17(16-6-2-1-3-7-16)13-23(18)15-21(27)10-11-22(19(25)26)14-20(21)8-4-5-9-20/h1-3,6-7,17,27H,4-5,8-15H2,(H,25,26)/t17-,21+/m0/s1
InChIKeyFYYHZGVSXZDMRM-LAUBAEHRSA-N
XLogP2.68
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid (CID 155271150) is (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid is O=C(O)N1CC[C@@](O)(CN2C[C@@H](c3ccccc3)CC2=O)C2(CCCC2)C1.
What is the InChIKey of (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is FYYHZGVSXZDMRM-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H28N2O4/c24-18-12-17(16-6-2-1-3-7-16)13-23(18)15-21(27)10-11-22(19(25)26)14-20(21)8-4-5-9-20/h1-3,6-7,17,27H,4-5,8-15H2,(H,25,26)/t17-,21+/m0/s1.
What are the key properties of (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
(10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 155271150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).