3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid

C15H18Cl2N2O2 — CID 150111649

IUPAC3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCNCC2)C1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-5-10(6-12(17)8-11)7-13-15(1-3-18-4-2-15)9-19(13)14(20)21/h5-6,8,13,18H,1-4,7,9H2,(H,20,21)
InChIKeyDXJPFUVJYHUSOQ-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.27
Rot. Bonds2

About 3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid

3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 150111649) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
PubChem CID150111649
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCNCC2)C1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-5-10(6-12(17)8-11)7-13-15(1-3-18-4-2-15)9-19(13)14(20)21/h5-6,8,13,18H,1-4,7,9H2,(H,20,21)
InChIKeyDXJPFUVJYHUSOQ-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.27
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)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid (CID 150111649) is 3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid is O=C(O)N1CC2(CCNCC2)C1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is DXJPFUVJYHUSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-11-5-10(6-12(17)8-11)7-13-15(1-3-18-4-2-15)9-19(13)14(20)21/h5-6,8,13,18H,1-4,7,9H2,(H,20,21).
What are the key properties of 3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid?
3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 329.23 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 150111649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).