2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid

C9H10F3NO3 — CID 167481342

IUPAC2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)C(F)(F)F)C12CC(C1)C2
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)7(16)13-5(6(14)15)8-1-4(2-8)3-8/h4-5H,1-3H2,(H,13,16)(H,14,15)
InChIKeyNFGWZNDSASGIBT-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.92
Rot. Bonds3

About 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid

2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 167481342) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID167481342
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)C(F)(F)F)C12CC(C1)C2
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)7(16)13-5(6(14)15)8-1-4(2-8)3-8/h4-5H,1-3H2,(H,13,16)(H,14,15)
InChIKeyNFGWZNDSASGIBT-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid with MolForge

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Related Compounds

methyl 2-(1-adamantyl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 2835991
2-(1-methylcyclopentyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 167737694
(2S)-2-acetamido-2-(1-adamantyl)acetic acid
CID 11253749
(2S)-2-(1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11738405
2-(1-adamantyl)-2-(methylamino)acetic acid
CID 11229817
2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]acetic acid
CID 123346666
2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetic acid
CID 2834333
2-(1-adamantyl)-2-benzamidoacetic acid
CID 2835966
N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide
CID 130971950
2-(3,5-dimethyl-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 23596412
(2S)-2-[(3R,5S)-3,5-dihydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11450683
(2S)-2-(1-adamantyl)-2-[(2-fluorobenzoyl)amino]acetic acid
CID 7123972

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid (CID 167481342) is 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid is O=C(O)C(NC(=O)C(F)(F)F)C12CC(C1)C2.
What is the InChIKey of 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is NFGWZNDSASGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c10-9(11,12)7(16)13-5(6(14)15)8-1-4(2-8)3-8/h4-5H,1-3H2,(H,13,16)(H,14,15).
What are the key properties of 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 237.18 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 167481342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).