9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one

C25H31N3O3 — CID 71060406

IUPAC9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CC(c2ccccc2)C2(CCCN(C(=O)[C@H](N)COCc3ccccc3)C2)C1=O
InChIInChI=1S/C25H31N3O3/c1-27-15-21(20-11-6-3-7-12-20)25(24(27)30)13-8-14-28(18-25)23(29)22(26)17-31-16-19-9-4-2-5-10-19/h2-7,9-12,21-22H,8,13-18,26H2,1H3/t21?,22-,25?/m1/s1
InChIKeyRWIQGXWPGCQELU-SMCIBBBJSA-N
MW421.54 g/mol
LogP2.40
Rot. Bonds6

About 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one

9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 71060406) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID71060406
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CC(c2ccccc2)C2(CCCN(C(=O)[C@H](N)COCc3ccccc3)C2)C1=O
InChIInChI=1S/C25H31N3O3/c1-27-15-21(20-11-6-3-7-12-20)25(24(27)30)13-8-14-28(18-25)23(29)22(26)17-31-16-19-9-4-2-5-10-19/h2-7,9-12,21-22H,8,13-18,26H2,1H3/t21?,22-,25?/m1/s1
InChIKeyRWIQGXWPGCQELU-SMCIBBBJSA-N
XLogP2.40
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 71060255
2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 71060417
(3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide
CID 140601128
(2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione
CID 152947014
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
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
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
ethyl (3S)-1-[(2R)-2-amino-3-phenylmethoxypropanoyl]-3-benzylpiperidine-3-carboxylate
CID 10623867
tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxo-5-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 71060357
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
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

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 71060406) is 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one is CN1CC(c2ccccc2)C2(CCCN(C(=O)[C@H](N)COCc3ccccc3)C2)C1=O.
What is the InChIKey of 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RWIQGXWPGCQELU-SMCIBBBJSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-27-15-21(20-11-6-3-7-12-20)25(24(27)30)13-8-14-28(18-25)23(29)22(26)17-31-16-19-9-4-2-5-10-19/h2-7,9-12,21-22H,8,13-18,26H2,1H3/t21?,22-,25?/m1/s1.
What are the key properties of 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one?
9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 421.54 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 71060406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).