2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid

C10H18F3NO2 — CID 60998839

IUPAC2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid
SMILESCCCC(CCC)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-3-5-9(6-4-2,8(15)16)14-7-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeyIBINWXVUWDIECU-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.56
Rot. Bonds7

About 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid

2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid (PubChem CID 60998839) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid.

Molecular Properties

Compound Name2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid
PubChem CID60998839
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid
SMILESCCCC(CCC)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-3-5-9(6-4-2,8(15)16)14-7-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16)
InChIKeyIBINWXVUWDIECU-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

t-Butyl leucine
CID 53695426
4-Methyl-2-(trifluoromethylamino)pentanoic acid
CID 20184468
Trifluoromethyl 2-methyl-2-(propylamino)pentanoate
CID 88640072
(2S)-4-methyl-2-(trifluoromethylamino)pentanoic acid
CID 88661958
(2R)-2-(tert-butylamino)-4-methylpentanoic acid;2,2,2-trifluoroacetic acid;hydrochloride
CID 89157401
3-Fluoro-4-methyl-2-(propan-2-ylamino)pentanoic acid
CID 89208920
1-(Propan-2-ylamino)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 89959709
(2S)-4-methyl-2-[(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 93416184
5-Amino-2-(difluoromethyl)-2-(ethylamino)pentanoic acid
CID 139456125
(2S,4R)-5,5,5-trifluoro-4-methyl-2-(methylamino)pentanoic acid
CID 142165621
ethane;(2S,4R)-5,5,5-trifluoro-4-methyl-2-(methylamino)pentanoic acid
CID 142165623
ethane;(2S,4S)-5,5,5-trifluoro-4-methyl-2-(methylamino)pentanoic acid
CID 142165626

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid?
The IUPAC name of 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid (CID 60998839) is 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid.
What is the SMILES notation for 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid?
The canonical SMILES for 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid is CCCC(CCC)(NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid?
The InChIKey is IBINWXVUWDIECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-5-9(6-4-2,8(15)16)14-7-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid?
2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(2,2,2-trifluoroethylamino)pentanoic acid is sourced from PubChem (CID 60998839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).