2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid

C8H14F3N3O2 — CID 10130993

IUPAC2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid
SMILESC/C(N)=N\CCC(C(N)C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-4(12)14-3-2-5(8(9,10)11)6(13)7(15)16/h5-6H,2-3,13H2,1H3,(H2,12,14)(H,15,16)
InChIKeyKZUMELWZDWVKIF-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.34
Rot. Bonds5

About 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid

2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid (PubChem CID 10130993) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid
PubChem CID10130993
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid
SMILESC/C(N)=N\CCC(C(N)C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-4(12)14-3-2-5(8(9,10)11)6(13)7(15)16/h5-6H,2-3,13H2,1H3,(H2,12,14)(H,15,16)
InChIKeyKZUMELWZDWVKIF-UHFFFAOYSA-N
XLogP0.34
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-aminoethylideneamino)ethyl]-3-methylbutanedioic acid
CID 118362424
4-(1-aminoethylideneamino)-2-ethylbutanoic acid
CID 145476520
(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
CID 90976628
(2S,3S)-3-amino-7-(1-aminoethylideneamino)-2-hydroxyheptanoic acid
CID 20638014
6-(1-aminoethylideneamino)-2-methylhexanoic acid
CID 158122286
(3S)-3-amino-7-(1-aminoethylideneamino)heptanoic acid
CID 57253327
(2S)-2-amino-5-[[amino(methylsulfanyl)methylidene]amino]-3-methylpentanoic acid
CID 18656744
(E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid
CID 59888640
2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid;phosphoric acid
CID 85040284
(2S)-2-amino-3-tert-butyl-5-(diaminomethylideneamino)-6,6-dimethylheptanoic acid
CID 141104063
(2S,3R)-2-amino-3-(diaminomethylideneamino)-4,4,4-trifluorobutanoic acid
CID 118493031
2-(benzenesulfonamido)-5-(diaminomethylideneamino)-3-(trifluoromethyl)pentanoic acid
CID 175159820

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid?
The IUPAC name of 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid (CID 10130993) is 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid is C/C(N)=N\CCC(C(N)C(=O)O)C(F)(F)F.
What is the InChIKey of 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid?
The InChIKey is KZUMELWZDWVKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-4(12)14-3-2-5(8(9,10)11)6(13)7(15)16/h5-6H,2-3,13H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid?
2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid has a molecular weight of 241.21 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 10130993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).