3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid

C21H30N2O2 — CID 97199559

IUPAC3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
SMILESO=C(O)CCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C21H30N2O2/c24-20(25)8-11-22-12-9-21(10-13-22)14-18(17-4-2-1-3-5-17)15-23(16-21)19-6-7-19/h1-5,18-19H,6-16H2,(H,24,25)/t18-/m0/s1
InChIKeyQAEMIWYRZTUKHV-SFHVURJKSA-N
MW342.48 g/mol
LogP3.20
Rot. Bonds5

About 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid

3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid (PubChem CID 97199559) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
PubChem CID97199559
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
SMILESO=C(O)CCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C21H30N2O2/c24-20(25)8-11-22-12-9-21(10-13-22)14-18(17-4-2-1-3-5-17)15-23(16-21)19-6-7-19/h1-5,18-19H,6-16H2,(H,24,25)/t18-/m0/s1
InChIKeyQAEMIWYRZTUKHV-SFHVURJKSA-N
XLogP3.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
CID 97202997
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
CID 72841925
(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97190011
1-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(dimethylamino)ethanone
CID 97202268
(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97208828
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide
CID 72891317
5-[[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 97270180
1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
CID 97208119
[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97200921
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid?
The IUPAC name of 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid (CID 97199559) is 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid.
What is the SMILES notation for 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid?
The canonical SMILES for 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid is O=C(O)CCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2.
What is the InChIKey of 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid?
The InChIKey is QAEMIWYRZTUKHV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(25)8-11-22-12-9-21(10-13-22)14-18(17-4-2-1-3-5-17)15-23(16-21)19-6-7-19/h1-5,18-19H,6-16H2,(H,24,25)/t18-/m0/s1.
What are the key properties of 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid?
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid has a molecular weight of 342.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid is sourced from PubChem (CID 97199559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).