6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid

C11H15F3N2O4 — CID 106213963

IUPAC6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O4/c12-11(13,14)10(5-6-10)16-9(20)15-7(17)3-1-2-4-8(18)19/h1-6H2,(H,18,19)(H2,15,16,17,20)
InChIKeyHZYOFLYUEFSAGV-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.55
Rot. Bonds6

About 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid

6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid (PubChem CID 106213963) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
PubChem CID106213963
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O4/c12-11(13,14)10(5-6-10)16-9(20)15-7(17)3-1-2-4-8(18)19/h1-6H2,(H,18,19)(H2,15,16,17,20)
InChIKeyHZYOFLYUEFSAGV-UHFFFAOYSA-N
XLogP1.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid
CID 106215305
2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid
CID 106216540
3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid
CID 106216421
1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106211177
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
6-[(4-fluorophenyl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447329
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106216855
6-[(1-methylpyrazol-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43535239
tetraaluminum;tris(hexanedioic acid);tris(oxygen(2-))
CID 173437830
6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
CID 102906601
5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
CID 28931731

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid?
The IUPAC name of 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid (CID 106213963) is 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid?
The canonical SMILES for 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid is O=C(O)CCCCC(=O)NC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid?
The InChIKey is HZYOFLYUEFSAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4/c12-11(13,14)10(5-6-10)16-9(20)15-7(17)3-1-2-4-8(18)19/h1-6H2,(H,18,19)(H2,15,16,17,20).
What are the key properties of 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid?
6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid has a molecular weight of 296.25 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid is sourced from PubChem (CID 106213963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).