3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid

C13H26N2O3 — CID 65265679

IUPAC3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCCNC(C)(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-8-14-12(4,5)9(16)15-13(6,7)11(2,3)10(17)18/h14H,8H2,1-7H3,(H,15,16)(H,17,18)
InChIKeyAKNJCVMQAXUIGO-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.38
Rot. Bonds6

About 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid

3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265679) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65265679
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCCNC(C)(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-8-14-12(4,5)9(16)15-13(6,7)11(2,3)10(17)18/h14H,8H2,1-7H3,(H,15,16)(H,17,18)
InChIKeyAKNJCVMQAXUIGO-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
CID 114105249
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid
CID 62834631
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176397
3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261289
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266173
3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid
CID 65265611
2-[[2-(ethylamino)-2-methylpropanoyl]amino]butanoic acid
CID 62835349
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 62836702
2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
CID 65261594
3-[(3-amino-3-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
CID 65265747

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid (CID 65265679) is 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid is CCNC(C)(C)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is AKNJCVMQAXUIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-8-14-12(4,5)9(16)15-13(6,7)11(2,3)10(17)18/h14H,8H2,1-7H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).