2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid

C17H15F2NO2 — CID 83985173

IUPAC2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
SMILESNC(C(=O)O)C1c2ccccc2CCc2cc(F)c(F)cc21
InChIInChI=1S/C17H15F2NO2/c18-13-7-10-6-5-9-3-1-2-4-11(9)15(16(20)17(21)22)12(10)8-14(13)19/h1-4,7-8,15-16H,5-6,20H2,(H,21,22)
InChIKeySBBJDJAPNCXQNP-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.61
Rot. Bonds2

About 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid

2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid (PubChem CID 83985173) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
PubChem CID83985173
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
SMILESNC(C(=O)O)C1c2ccccc2CCc2cc(F)c(F)cc21
InChIInChI=1S/C17H15F2NO2/c18-13-7-10-6-5-9-3-1-2-4-11(9)15(16(20)17(21)22)12(10)8-14(13)19/h1-4,7-8,15-16H,5-6,20H2,(H,21,22)
InChIKeySBBJDJAPNCXQNP-UHFFFAOYSA-N
XLogP2.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(5,6-difluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl)acetic acid
CID 83985212
ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride
CID 19385933
4-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)butan-2-one
CID 83985204
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine
CID 83985125
2-(ethylamino)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
CID 83985105
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
CID 19385930
2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-N-methylethanamine
CID 83985198
2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
CID 178025111
methyl 2-amino-2-(6-fluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)acetate
CID 83985245
3-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
CID 83985117
(2S)-2-amino-2-[(1S)-4-fluoro-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid
CID 122401581

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid?
The IUPAC name of 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid (CID 83985173) is 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid is NC(C(=O)O)C1c2ccccc2CCc2cc(F)c(F)cc21.
What is the InChIKey of 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid?
The InChIKey is SBBJDJAPNCXQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-13-7-10-6-5-9-3-1-2-4-11(9)15(16(20)17(21)22)12(10)8-14(13)19/h1-4,7-8,15-16H,5-6,20H2,(H,21,22).
What are the key properties of 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid?
2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid has a molecular weight of 303.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid is sourced from PubChem (CID 83985173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).