2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid

C10H15F3N2O3 — CID 162362208

IUPAC2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESNC(=O)NC(C(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-3-1-5(2-4-6)7(8(16)17)15-9(14)18/h5-7H,1-4H2,(H,16,17)(H3,14,15,18)
InChIKeyHQQZVTAJJAAGSK-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.48
Rot. Bonds3

About 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid

2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid (PubChem CID 162362208) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid
PubChem CID162362208
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESNC(=O)NC(C(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-3-1-5(2-4-6)7(8(16)17)15-9(14)18/h5-7H,1-4H2,(H,16,17)(H3,14,15,18)
InChIKeyHQQZVTAJJAAGSK-UHFFFAOYSA-N
XLogP1.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid (CID 162362208) is 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid is NC(=O)NC(C(=O)O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid?
The InChIKey is HQQZVTAJJAAGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)6-3-1-5(2-4-6)7(8(16)17)15-9(14)18/h5-7H,1-4H2,(H,16,17)(H3,14,15,18).
What are the key properties of 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid?
2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 162362208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).