2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid

C10H19NO4 — CID 21201077

IUPAC2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid
SMILESCCC(CC)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H19NO4/c1-4-7(5-2)9(13)11-8(6(3)12)10(14)15/h6-8,12H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyPBDAFBHOQJVGKN-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.37
Rot. Bonds6

About 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid

2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid (PubChem CID 21201077) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid
PubChem CID21201077
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid
SMILESCCC(CC)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H19NO4/c1-4-7(5-2)9(13)11-8(6(3)12)10(14)15/h6-8,12H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyPBDAFBHOQJVGKN-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
(2S,3R)-2-(butan-2-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 104965693
2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 18239125
(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid
CID 175946093
3-hydroxy-2-(3-methylpentanoylamino)butanoic acid
CID 114873567
2-[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]propanoylamino]-3-hydroxybutanoic acid
CID 18500620
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 18232401
2-[[(2S)-2-aminohexanoyl]amino]-3-hydroxybutanoic acid
CID 107144699
3-hydroxy-2-(pent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 106232070
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 104903192
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
3-amino-4-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18250433

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid?
The IUPAC name of 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid (CID 21201077) is 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid is CCC(CC)C(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid?
The InChIKey is PBDAFBHOQJVGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-7(5-2)9(13)11-8(6(3)12)10(14)15/h6-8,12H,4-5H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid?
2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 21201077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).