3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid

C10H20N2O4 — CID 66176397

IUPAC3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCNC(C)(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-5-12-9(2,3)7(13)11-6-10(4,16)8(14)15/h12,16H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyJKNRYADQUVINNT-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.67
Rot. Bonds6

About 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66176397) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66176397
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCNC(C)(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-5-12-9(2,3)7(13)11-6-10(4,16)8(14)15/h12,16H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyJKNRYADQUVINNT-UHFFFAOYSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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

3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
2-(ethylamino)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761328
2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255258
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 103018889
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-2-methylpropanamide
CID 62832837
2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
CID 62832671
2-(ethylamino)-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 62833567
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754
2-(ethylamino)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79362603
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 62836702
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65265679

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66176397) is 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid is CCNC(C)(C)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is JKNRYADQUVINNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-5-12-9(2,3)7(13)11-6-10(4,16)8(14)15/h12,16H,5-6H2,1-4H3,(H,11,13)(H,14,15).
What are the key properties of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66176397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).