4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid

C10H20N2O4 — CID 107836178

IUPAC4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid
SMILESCCC(N)(CC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-10(11,4-2)9(16)12-6-5-7(13)8(14)15/h7,13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyYGMZKSAEQAHGHF-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.54
Rot. Bonds7

About 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid

4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107836178) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid
PubChem CID107836178
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid
SMILESCCC(N)(CC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-10(11,4-2)9(16)12-6-5-7(13)8(14)15/h7,13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyYGMZKSAEQAHGHF-UHFFFAOYSA-N
XLogP-0.54
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid
CID 112547757
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-ethylbutanamide
CID 106175610
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
CID 107832641
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 79814605
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
CID 107836409
4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid
CID 107836180
2-hydroxy-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
CID 134329092

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid (CID 107836178) is 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid is CCC(N)(CC)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is YGMZKSAEQAHGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-10(11,4-2)9(16)12-6-5-7(13)8(14)15/h7,13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid?
4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).