2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid

C10H12F3NO4 — CID 77451850

IUPAC2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid
SMILESCOC(=O)NC(C(=O)O)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C10H12F3NO4/c1-18-7(17)14-5(6(15)16)8-2-9(3-8,4-8)10(11,12)13/h5H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyXZNSODXWWKJGPJ-UHFFFAOYSA-N
MW267.20 g/mol
LogP1.53
Rot. Bonds3

About 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid

2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid (PubChem CID 77451850) has the molecular formula C10H12F3NO4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid
PubChem CID77451850
Molecular FormulaC10H12F3NO4
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid
SMILESCOC(=O)NC(C(=O)O)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C10H12F3NO4/c1-18-7(17)14-5(6(15)16)8-2-9(3-8,4-8)10(11,12)13/h5H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyXZNSODXWWKJGPJ-UHFFFAOYSA-N
XLogP1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]acetic acid
CID 123346666
(2S)-2-(1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11738405
tert-butyl N-[2-[[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]amino]-2-oxo-1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethyl]carbamate
CID 177351469
(2S)-2-[(3R,5S)-3,5-dihydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11450683
2-(3,5-dimethyl-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 23596412
(2R)-2-(1-bicyclo[2.2.1]heptanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 124585575
(2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11267340
methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 23234717
1-[carboxy-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid
CID 19986920
bicyclo[1.1.1]pentane-1-carbaldehyde;2-(1-bicyclo[1.1.1]pentanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 160675288
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 154723642

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid?
The IUPAC name of 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid (CID 77451850) is 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid is COC(=O)NC(C(=O)O)C12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid?
The InChIKey is XZNSODXWWKJGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4/c1-18-7(17)14-5(6(15)16)8-2-9(3-8,4-8)10(11,12)13/h5H,2-4H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid?
2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid has a molecular weight of 267.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid is sourced from PubChem (CID 77451850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).