3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid

C21H21NO3 — CID 120580722

IUPAC3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C21H21NO3/c23-19(22-18(20(24)25)12-14-6-2-1-3-7-14)17-13-21(17)11-10-15-8-4-5-9-16(15)21/h1-9,17-18H,10-13H2,(H,22,23)(H,24,25)
InChIKeyAKRKENHFLSCTOV-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.70
Rot. Bonds5

About 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid

3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid (PubChem CID 120580722) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
PubChem CID120580722
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NC(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C21H21NO3/c23-19(22-18(20(24)25)12-14-6-2-1-3-7-14)17-13-21(17)11-10-15-8-4-5-9-16(15)21/h1-9,17-18H,10-13H2,(H,22,23)(H,24,25)
InChIKeyAKRKENHFLSCTOV-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-phenyl-2-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119366387
(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119369980
3-(4-methylsulfanylphenyl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120688333
(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
CID 14557388
N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119666795
N-(diethylsulfamoyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 154803041
N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119607246
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 154864359
methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate
CID 67989155
N-[2-(aminomethyl)cyclopentyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119602905
(1'R,3S)-N-(5,5,5-trifluoropentyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 100657709

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid?
The IUPAC name of 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid (CID 120580722) is 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid?
The canonical SMILES for 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid is O=C(O)C(Cc1ccccc1)NC(=O)C1CC12CCc1ccccc12.
What is the InChIKey of 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid?
The InChIKey is AKRKENHFLSCTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-19(22-18(20(24)25)12-14-6-2-1-3-7-14)17-13-21(17)11-10-15-8-4-5-9-16(15)21/h1-9,17-18H,10-13H2,(H,22,23)(H,24,25).
What are the key properties of 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid?
3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid has a molecular weight of 335.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid is sourced from PubChem (CID 120580722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).