4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid

C10H19NO4 — CID 107832641

IUPAC4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
SMILESCCC(CC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-7(4-2)9(13)11-6-5-8(12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyKGPIHUVHJDKCSL-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.37
Rot. Bonds7

About 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid

4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid (PubChem CID 107832641) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
PubChem CID107832641
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
SMILESCCC(CC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-7(4-2)9(13)11-6-5-8(12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyKGPIHUVHJDKCSL-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
CID 107836409
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
CID 107836168
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
2-ethylbutanoic acid;2-ethyl-N-[(2-ethylbutanoylamino)methyl]butanamide
CID 157432754
(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836312
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836525

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid (CID 107832641) is 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid is CCC(CC)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid?
The InChIKey is KGPIHUVHJDKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-7(4-2)9(13)11-6-5-8(12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid?
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107832641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).