3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid

C12H24N2O3 — CID 79257299

IUPAC3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CNC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-14(8-9(2)11(16)17)10(15)7-13-12(3,4)5/h9,13H,6-8H2,1-5H3,(H,16,17)
InChIKeyYXAPMMQGNTVMPY-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.94
Rot. Bonds6

About 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid

3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 79257299) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid
PubChem CID79257299
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CNC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-14(8-9(2)11(16)17)10(15)7-13-12(3,4)5/h9,13H,6-8H2,1-5H3,(H,16,17)
InChIKeyYXAPMMQGNTVMPY-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N,N-diethylacetamide
CID 28586539
3-[ethyl-[2-(propan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62853903
3-[ethyl(3,4,4-trimethylpentanoyl)amino]-2-methylpropanoic acid
CID 63834633
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid
CID 79278388
3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 115356740
3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62825581
2-(tert-butylamino)-N-ethyl-N-(2-methoxyethyl)acetamide
CID 112727456
2-[[2-(tert-butylamino)acetyl]-methylamino]propanoic acid
CID 79256717
3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323339
3-[ethyl(3-ethylsulfanylpropanoyl)amino]-2-methylpropanoic acid
CID 115731435
3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
CID 62852815

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid (CID 79257299) is 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)CNC(C)(C)C.
What is the InChIKey of 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is YXAPMMQGNTVMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-14(8-9(2)11(16)17)10(15)7-13-12(3,4)5/h9,13H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid?
3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79257299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).