(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide

C11H13F3N2O — CID 94872912

IUPAC(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C11H13F3N2O/c1-2-3-8(15)11(17)16-9-5-6(12)4-7(13)10(9)14/h4-5,8H,2-3,15H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyJOIPBCLWFOCVFW-QMMMGPOBSA-N
MW246.23 g/mol
LogP2.17
Rot. Bonds4

About (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide

(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide (PubChem CID 94872912) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
PubChem CID94872912
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C11H13F3N2O/c1-2-3-8(15)11(17)16-9-5-6(12)4-7(13)10(9)14/h4-5,8H,2-3,15H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyJOIPBCLWFOCVFW-QMMMGPOBSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
(2R)-2-[(2,3,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 107566861
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
CID 107145817
2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
CID 79766616
(2R)-2-amino-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 107570332
methyl 5-[[(2S)-2-aminopentanoyl]amino]-2,4-difluorobenzoate
CID 107568719
2-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]pentanamide;hydrochloride
CID 119330052
2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide
CID 43709921
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide (CID 94872912) is (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide is CCC[C@H](N)C(=O)Nc1cc(F)cc(F)c1F.
What is the InChIKey of (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide?
The InChIKey is JOIPBCLWFOCVFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-2-3-8(15)11(17)16-9-5-6(12)4-7(13)10(9)14/h4-5,8H,2-3,15H2,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide?
(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide has a molecular weight of 246.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide is sourced from PubChem (CID 94872912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).