(2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid

C10H17F3N2O4 — CID 107567023

IUPAC(2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O4/c1-2-3-7(8(16)17)15-9(18)14-4-5-19-6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)(H2,14,15,18)/t7-/m1/s1
InChIKeyFPRAPVPGNCHWSB-SSDOTTSWSA-N
MW286.25 g/mol
LogP1.12
Rot. Bonds8

About (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid

(2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid (PubChem CID 107567023) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
PubChem CID107567023
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name(2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCOCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O4/c1-2-3-7(8(16)17)15-9(18)14-4-5-19-6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)(H2,14,15,18)/t7-/m1/s1
InChIKeyFPRAPVPGNCHWSB-SSDOTTSWSA-N
XLogP1.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.12
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-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 81085400
2-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 114128613
3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63834246
(2S)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63833005
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497
(2S)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]butanoic acid
CID 63833892
2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 104686692
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834426
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
2-(ethylamino)-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 63039882
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid (CID 107567023) is (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NCCOCC(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid?
The InChIKey is FPRAPVPGNCHWSB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-2-3-7(8(16)17)15-9(18)14-4-5-19-6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)(H2,14,15,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid?
(2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid has a molecular weight of 286.25 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107567023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).