2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid

C11H20N2O4 — CID 62818406

IUPAC2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)CN(C)C(C)=O)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-6-13(11(3,4)10(16)17)9(15)7-12(5)8(2)14/h6-7H2,1-5H3,(H,16,17)
InChIKeyLMKQGUKSQFAVPY-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.18
Rot. Bonds5

About 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid

2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62818406) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62818406
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)CN(C)C(C)=O)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-6-13(11(3,4)10(16)17)9(15)7-12(5)8(2)14/h6-7H2,1-5H3,(H,16,17)
InChIKeyLMKQGUKSQFAVPY-UHFFFAOYSA-N
XLogP0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62823516
2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62818946
2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid
CID 114873698
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62820272
2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid
CID 62818599
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980
2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 63859529
2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79864879
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822227
2-[ethyl-[2-(thian-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 83146101
2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 79854038

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid (CID 62818406) is 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid is CCN(C(=O)CN(C)C(C)=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is LMKQGUKSQFAVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-6-13(11(3,4)10(16)17)9(15)7-12(5)8(2)14/h6-7H2,1-5H3,(H,16,17).
What are the key properties of 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).