3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid

C15H15Cl2NO3 — CID 122108245

IUPAC3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1cc(Cl)cc(Cl)c1)NC(=O)C1CC12CC2
InChIInChI=1S/C15H15Cl2NO3/c16-9-3-8(4-10(17)6-9)5-12(14(20)21)18-13(19)11-7-15(11)1-2-15/h3-4,6,11-12H,1-2,5,7H2,(H,18,19)(H,20,21)
InChIKeyLZONWQWGNGEONX-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.91
Rot. Bonds5

About 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid

3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid (PubChem CID 122108245) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.19 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
PubChem CID122108245
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC Name3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1cc(Cl)cc(Cl)c1)NC(=O)C1CC12CC2
InChIInChI=1S/C15H15Cl2NO3/c16-9-3-8(4-10(17)6-9)5-12(14(20)21)18-13(19)11-7-15(11)1-2-15/h3-4,6,11-12H,1-2,5,7H2,(H,18,19)(H,20,21)
InChIKeyLZONWQWGNGEONX-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid (CID 122108245) is 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid is O=C(O)C(Cc1cc(Cl)cc(Cl)c1)NC(=O)C1CC12CC2.
What is the InChIKey of 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid?
The InChIKey is LZONWQWGNGEONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c16-9-3-8(4-10(17)6-9)5-12(14(20)21)18-13(19)11-7-15(11)1-2-15/h3-4,6,11-12H,1-2,5,7H2,(H,18,19)(H,20,21).
What are the key properties of 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid?
3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid has a molecular weight of 328.19 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-2-(spiro[2.2]pentane-2-carbonylamino)propanoic acid is sourced from PubChem (CID 122108245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).