2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid

C18H23NO2 — CID 62110993

IUPAC2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid
SMILESO=C(O)C(NC1CC2CC1C1CCCC21)c1ccccc1
InChIInChI=1S/C18H23NO2/c20-18(21)17(11-5-2-1-3-6-11)19-16-10-12-9-15(16)14-8-4-7-13(12)14/h1-3,5-6,12-17,19H,4,7-10H2,(H,20,21)
InChIKeyCOXMWHFAUOBEAL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.23
Rot. Bonds4

About 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid

2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid (PubChem CID 62110993) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid
PubChem CID62110993
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid
SMILESO=C(O)C(NC1CC2CC1C1CCCC21)c1ccccc1
InChIInChI=1S/C18H23NO2/c20-18(21)17(11-5-2-1-3-6-11)19-16-10-12-9-15(16)14-8-4-7-13(12)14/h1-3,5-6,12-17,19H,4,7-10H2,(H,20,21)
InChIKeyCOXMWHFAUOBEAL-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid
CID 62108990
2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
CID 114178847
N-[(1R)-1-pyridin-3-ylethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81407323
1-(2-phenylethyl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739144
2-(8-tricyclo[5.2.1.02,6]decanylsulfamoyl)propanoic acid
CID 61455278
2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
CID 106662453
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
N-[1-(2-fluorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223965
N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81378144
2-(2-phenoxyethoxy)-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124786370
2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124786369

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid?
The IUPAC name of 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid (CID 62110993) is 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid?
The canonical SMILES for 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid is O=C(O)C(NC1CC2CC1C1CCCC21)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid?
The InChIKey is COXMWHFAUOBEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-18(21)17(11-5-2-1-3-6-11)19-16-10-12-9-15(16)14-8-4-7-13(12)14/h1-3,5-6,12-17,19H,4,7-10H2,(H,20,21).
What are the key properties of 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid?
2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid has a molecular weight of 285.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid is sourced from PubChem (CID 62110993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).