(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid

C20H28N2O3 — CID 140624874

IUPAC(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESCC(C)(C)CN1C[C@@H](c2ccccc2)[C@@]2(CCCN(C(=O)O)C2)C1=O
InChIInChI=1S/C20H28N2O3/c1-19(2,3)13-22-12-16(15-8-5-4-6-9-15)20(17(22)23)10-7-11-21(14-20)18(24)25/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,24,25)/t16-,20-/m0/s1
InChIKeyDNQUAFJJMZNYFH-JXFKEZNVSA-N
MW344.46 g/mol
LogP3.42
Rot. Bonds2

About (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid

(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid (PubChem CID 140624874) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
PubChem CID140624874
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESCC(C)(C)CN1C[C@@H](c2ccccc2)[C@@]2(CCCN(C(=O)O)C2)C1=O
InChIInChI=1S/C20H28N2O3/c1-19(2,3)13-22-12-16(15-8-5-4-6-9-15)20(17(22)23)10-7-11-21(14-20)18(24)25/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,24,25)/t16-,20-/m0/s1
InChIKeyDNQUAFJJMZNYFH-JXFKEZNVSA-N
XLogP3.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid with MolForge

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Related Compounds

(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 141350023
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
2-amino-2-methyl-N-[1-oxo-1-[(4S,5R)-1-oxo-4-phenyl-2-(2,2,2-trifluoroethyl)-2,9-diazaspiro[4.5]decan-9-yl]-3-phenylmethoxypropan-2-yl]propanamide
CID 71060571
2-amino-2-methyl-N-[(E,2R)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxo-5-phenylpent-4-en-2-yl]propanamide
CID 89239216
(4S,5R)-4-phenyl-2-(2,2,2-trifluoroethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 129391964
9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 71060406
(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471900
2-amino-N-[(2S)-3-benzylsulfanyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 71060201
2-methyl-7-[2-(1-methylpyrazol-3-yl)acetyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131679626
tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide
CID 71109248
(2R,5R)-5-amino-5-methyl-1-[(4S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-2-(phenylmethoxymethyl)heptane-1,4-dione
CID 161495664

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The IUPAC name of (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid (CID 140624874) is (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid.
What is the SMILES notation for (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The canonical SMILES for (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid is CC(C)(C)CN1C[C@@H](c2ccccc2)[C@@]2(CCCN(C(=O)O)C2)C1=O.
What is the InChIKey of (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The InChIKey is DNQUAFJJMZNYFH-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-19(2,3)13-22-12-16(15-8-5-4-6-9-15)20(17(22)23)10-7-11-21(14-20)18(24)25/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,24,25)/t16-,20-/m0/s1.
What are the key properties of (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid has a molecular weight of 344.46 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid is sourced from PubChem (CID 140624874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).