2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid

C10H20N2O4 — CID 62835355

IUPAC2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
SMILESCCNC(C)(C)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-11-10(2,3)9(16)12-7(5-6-13)8(14)15/h7,11,13H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyXMUAQDJWTXARQJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.67
Rot. Bonds7

About 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid

2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid (PubChem CID 62835355) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
PubChem CID62835355
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
SMILESCCNC(C)(C)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-11-10(2,3)9(16)12-7(5-6-13)8(14)15/h7,11,13H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyXMUAQDJWTXARQJ-UHFFFAOYSA-N
XLogP-0.67
TPSA98.66 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 ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid
CID 62835349
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 62836653
(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825290
(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 106330722
2-(ethylamino)-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropanamide
CID 107221411
(2S)-2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827322
(2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
CID 107824979
2-(ethylamino)-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 62833567
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 62836702
(2S)-2-(2,2-difluorodecanoylamino)-4-hydroxybutanoic acid
CID 54143537
(2S)-4-hydroxy-2-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107829003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid (CID 62835355) is 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid is CCNC(C)(C)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is XMUAQDJWTXARQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-11-10(2,3)9(16)12-7(5-6-13)8(14)15/h7,11,13H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid?
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 62835355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).