3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid

C11H21FN2O4 — CID 22986894

IUPAC3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid
SMILESCC(C)C[C@H](N)C(=O)NC(CC(=O)O)C(O)CF
InChIInChI=1S/C11H21FN2O4/c1-6(2)3-7(13)11(18)14-8(4-10(16)17)9(15)5-12/h6-9,15H,3-5,13H2,1-2H3,(H,14,18)(H,16,17)/t7-,8?,9?/m0/s1
InChIKeyOANINUBOWCSJGA-UEJVZZJDSA-N
MW264.30 g/mol
LogP-0.35
Rot. Bonds8

About 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid (PubChem CID 22986894) has the molecular formula C11H21FN2O4 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid.

Molecular Properties

Compound Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid
PubChem CID22986894
Molecular FormulaC11H21FN2O4
Molecular Weight264.30 g/mol
Exact Mass264.15
IUPAC Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid
SMILESCC(C)C[C@H](N)C(=O)NC(CC(=O)O)C(O)CF
InChIInChI=1S/C11H21FN2O4/c1-6(2)3-7(13)11(18)14-8(4-10(16)17)9(15)5-12/h6-9,15H,3-5,13H2,1-2H3,(H,14,18)(H,16,17)/t7-,8?,9?/m0/s1
InChIKeyOANINUBOWCSJGA-UEJVZZJDSA-N
XLogP-0.35
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoic acid
CID 88665450
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 104903192
(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
CID 103812202
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
(3S)-4-[[(2R,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 167012827
(3S)-3-[[(2S,3S,4R,5S)-5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
CID 11113216
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
CID 18300795
3-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-4-[(1-carboxy-2-hydroxypropyl)amino]-4-oxobutanoic acid
CID 18300808
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid?
The IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid (CID 22986894) is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid.
What is the SMILES notation for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid?
The canonical SMILES for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid is CC(C)C[C@H](N)C(=O)NC(CC(=O)O)C(O)CF.
What is the InChIKey of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid?
The InChIKey is OANINUBOWCSJGA-UEJVZZJDSA-N. The full InChI is InChI=1S/C11H21FN2O4/c1-6(2)3-7(13)11(18)14-8(4-10(16)17)9(15)5-12/h6-9,15H,3-5,13H2,1-2H3,(H,14,18)(H,16,17)/t7-,8?,9?/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid?
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid has a molecular weight of 264.30 g/mol, XLogP of -0.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid is sourced from PubChem (CID 22986894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).