7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid

C20H28N2O4 — CID 174216671

IUPAC7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
SMILESCC(C)[C@@H](C(=O)OCc1ccccc1)N1CCC2(CCN(C(=O)O)C2)C1
InChIInChI=1S/C20H28N2O4/c1-15(2)17(18(23)26-12-16-6-4-3-5-7-16)21-10-8-20(13-21)9-11-22(14-20)19(24)25/h3-7,15,17H,8-14H2,1-2H3,(H,24,25)/t17-,20?/m0/s1
InChIKeyMODUGAPLBPLJJI-DIMJTDRSSA-N
MW360.45 g/mol
LogP2.83
Rot. Bonds5

About 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid

7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid (PubChem CID 174216671) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid.

Molecular Properties

Compound Name7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
PubChem CID174216671
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
SMILESCC(C)[C@@H](C(=O)OCc1ccccc1)N1CCC2(CCN(C(=O)O)C2)C1
InChIInChI=1S/C20H28N2O4/c1-15(2)17(18(23)26-12-16-6-4-3-5-7-16)21-10-8-20(13-21)9-11-22(14-20)19(24)25/h3-7,15,17H,8-14H2,1-2H3,(H,24,25)/t17-,20?/m0/s1
InChIKeyMODUGAPLBPLJJI-DIMJTDRSSA-N
XLogP2.83
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid with MolForge

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Related Compounds

tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 166116219
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 97175447
benzyl (2S)-2-cyclopentyl-2-[(5S)-2-[(2R,3R)-3-hydroxy-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]acetate
CID 176969024
benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 176719975
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
benzyl (2S)-2-(2,6-dioxopiperidin-1-yl)-3-methylbutanoate
CID 68766803
benzyl (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoate
CID 130457082
2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 71649736
(3S)-3-(methoxymethyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
CID 170433993
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid?
The IUPAC name of 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid (CID 174216671) is 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid.
What is the SMILES notation for 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid?
The canonical SMILES for 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid is CC(C)[C@@H](C(=O)OCc1ccccc1)N1CCC2(CCN(C(=O)O)C2)C1.
What is the InChIKey of 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid?
The InChIKey is MODUGAPLBPLJJI-DIMJTDRSSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15(2)17(18(23)26-12-16-6-4-3-5-7-16)21-10-8-20(13-21)9-11-22(14-20)19(24)25/h3-7,15,17H,8-14H2,1-2H3,(H,24,25)/t17-,20?/m0/s1.
What are the key properties of 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid?
7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid is sourced from PubChem (CID 174216671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).