(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid

C10H18FN3O4 — CID 134300907

IUPAC(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid
SMILESCC(C)(F)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H18FN3O4/c1-10(2,11)4-6(9(17)18)14-8(16)5(12)3-7(13)15/h5-6H,3-4,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)/t5-,6-/m0/s1
InChIKeyYEGLCQVCCQPSQA-WDSKDSINSA-N
MW263.27 g/mol
LogP-1.10
Rot. Bonds7

About (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid

(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid (PubChem CID 134300907) has the molecular formula C10H18FN3O4 and a molecular weight of 263.27 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid
PubChem CID134300907
Molecular FormulaC10H18FN3O4
Molecular Weight263.27 g/mol
Exact Mass263.13
IUPAC Name(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid
SMILESCC(C)(F)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H18FN3O4/c1-10(2,11)4-6(9(17)18)14-8(16)5(12)3-7(13)15/h5-6H,3-4,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)/t5-,6-/m0/s1
InChIKeyYEGLCQVCCQPSQA-WDSKDSINSA-N
XLogP-1.10
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid with MolForge

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Related Compounds

4-amino-2-[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoylamino]-4-oxobutanoic acid
CID 22652083
4-amino-2-[[3-carboxy-2-[[3-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 22653337
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 145454172
(2S)-4-amino-2-[[(2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 175931024
2-[(2,4-diamino-4-oxobutanoyl)amino]pentanedioic acid
CID 18218179
4-amino-2-[[4-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 22652123
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
5-amino-2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 18219092
2-[[4-amino-2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid
CID 22652919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid (CID 134300907) is (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid is CC(C)(F)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid?
The InChIKey is YEGLCQVCCQPSQA-WDSKDSINSA-N. The full InChI is InChI=1S/C10H18FN3O4/c1-10(2,11)4-6(9(17)18)14-8(16)5(12)3-7(13)15/h5-6H,3-4,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid?
(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid has a molecular weight of 263.27 g/mol, XLogP of -1.10, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid is sourced from PubChem (CID 134300907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).