ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid

C10H20FNO4 — CID 143459468

IUPACethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid
SMILESCC.CC(C)CC(NC(=O)C(O)F)C(=O)O
InChIInChI=1S/C8H14FNO4.C2H6/c1-4(2)3-5(8(13)14)10-7(12)6(9)11;1-2/h4-6,11H,3H2,1-2H3,(H,10,12)(H,13,14);1-2H3
InChIKeyFBQZJHTWHURWBT-UHFFFAOYSA-N
MW237.27 g/mol
LogP0.92
Rot. Bonds5

About ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid

ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid (PubChem CID 143459468) has the molecular formula C10H20FNO4 and a molecular weight of 237.27 g/mol. Its IUPAC name is ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Nameethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid
PubChem CID143459468
Molecular FormulaC10H20FNO4
Molecular Weight237.27 g/mol
Exact Mass237.14
IUPAC Nameethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid
SMILESCC.CC(C)CC(NC(=O)C(O)F)C(=O)O
InChIInChI=1S/C8H14FNO4.C2H6/c1-4(2)3-5(8(13)14)10-7(12)6(9)11;1-2/h4-6,11H,3H2,1-2H3,(H,10,12)(H,13,14);1-2H3
InChIKeyFBQZJHTWHURWBT-UHFFFAOYSA-N
XLogP0.92
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
(2S)-4-methyl-2-(2-methylsulfanylpropanoylamino)pentanoic acid
CID 119361586
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18224375
2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
CID 20766230
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid;(2R)-2-[[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 139248299
(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
CID 78975508

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid?
The IUPAC name of ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid (CID 143459468) is ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid?
The canonical SMILES for ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid is CC.CC(C)CC(NC(=O)C(O)F)C(=O)O.
What is the InChIKey of ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid?
The InChIKey is FBQZJHTWHURWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4.C2H6/c1-4(2)3-5(8(13)14)10-7(12)6(9)11;1-2/h4-6,11H,3H2,1-2H3,(H,10,12)(H,13,14);1-2H3.
What are the key properties of ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid?
ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid has a molecular weight of 237.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 143459468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).