5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide

C12H16FN3O2 — CID 107568539

IUPAC5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C12H16FN3O2/c1-2-3-10(14)12(18)16-7-4-5-9(13)8(6-7)11(15)17/h4-6,10H,2-3,14H2,1H3,(H2,15,17)(H,16,18)/t10-/m0/s1
InChIKeyAFGCRZCZHWENRY-JTQLQIEISA-N
MW253.28 g/mol
LogP0.99
Rot. Bonds5

About 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide

5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide (PubChem CID 107568539) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
PubChem CID107568539
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C12H16FN3O2/c1-2-3-10(14)12(18)16-7-4-5-9(13)8(6-7)11(15)17/h4-6,10H,2-3,14H2,1H3,(H2,15,17)(H,16,18)/t10-/m0/s1
InChIKeyAFGCRZCZHWENRY-JTQLQIEISA-N
XLogP0.99
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
CID 62474462
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
5-(2-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712184
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide?
The IUPAC name of 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide (CID 107568539) is 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide.
What is the SMILES notation for 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide?
The canonical SMILES for 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide is CCC[C@H](N)C(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide?
The InChIKey is AFGCRZCZHWENRY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-2-3-10(14)12(18)16-7-4-5-9(13)8(6-7)11(15)17/h4-6,10H,2-3,14H2,1H3,(H2,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide?
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide has a molecular weight of 253.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 107568539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).