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

C15H17NO3 — CID 119369980

IUPAC(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)C1CC12CCc1ccccc12)C(=O)O
InChIInChI=1S/C15H17NO3/c1-9(14(18)19)16-13(17)12-8-15(12)7-6-10-4-2-3-5-11(10)15/h2-5,9,12H,6-8H2,1H3,(H,16,17)(H,18,19)/t9-,12?,15?/m1/s1
InChIKeyWWIXIASVBHGDMI-DQSQBROSSA-N
MW259.31 g/mol
LogP1.48
Rot. Bonds3

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

(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid (PubChem CID 119369980) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
PubChem CID119369980
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)C1CC12CCc1ccccc12)C(=O)O
InChIInChI=1S/C15H17NO3/c1-9(14(18)19)16-13(17)12-8-15(12)7-6-10-4-2-3-5-11(10)15/h2-5,9,12H,6-8H2,1H3,(H,16,17)(H,18,19)/t9-,12?,15?/m1/s1
InChIKeyWWIXIASVBHGDMI-DQSQBROSSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid (CID 119369980) is (2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid is C[C@@H](NC(=O)C1CC12CCc1ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid?
The InChIKey is WWIXIASVBHGDMI-DQSQBROSSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9(14(18)19)16-13(17)12-8-15(12)7-6-10-4-2-3-5-11(10)15/h2-5,9,12H,6-8H2,1H3,(H,16,17)(H,18,19)/t9-,12?,15?/m1/s1.
What are the key properties of (2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid?
(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid is sourced from PubChem (CID 119369980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).