3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid

C19H25NO3 — CID 120685937

IUPAC3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C19H25NO3/c1-13(2)12-20(10-8-17(21)22)18(23)16-11-19(16)9-7-14-5-3-4-6-15(14)19/h3-6,13,16H,7-12H2,1-2H3,(H,21,22)
InChIKeyAQXUOVFGAYLFGL-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.85
Rot. Bonds6

About 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid

3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid (PubChem CID 120685937) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
PubChem CID120685937
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C19H25NO3/c1-13(2)12-20(10-8-17(21)22)18(23)16-11-19(16)9-7-14-5-3-4-6-15(14)19/h3-6,13,16H,7-12H2,1-2H3,(H,21,22)
InChIKeyAQXUOVFGAYLFGL-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 95782962
2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
CID 119348210
(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119369980
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
CID 119359115
N-propyl-N-pyrrolidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119531474
(1'R,3R)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 97017033
N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119607246
3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120580722
N-(diethylsulfamoyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 154803041
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
3-(4-methylsulfanylphenyl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120688333

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid (CID 120685937) is 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)C1CC12CCc1ccccc12.
What is the InChIKey of 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid?
The InChIKey is AQXUOVFGAYLFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13(2)12-20(10-8-17(21)22)18(23)16-11-19(16)9-7-14-5-3-4-6-15(14)19/h3-6,13,16H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid?
3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid has a molecular weight of 315.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120685937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).