3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid

C10H19N3O4 — CID 115428434

IUPAC3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid
SMILESCCNC(=O)CNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-11-7(14)5-12-9(17)13-6-10(2,3)8(15)16/h4-6H2,1-3H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyAZHLKNVWPBLOLA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.47
Rot. Bonds6

About 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid

3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid (PubChem CID 115428434) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid
PubChem CID115428434
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid
SMILESCCNC(=O)CNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-11-7(14)5-12-9(17)13-6-10(2,3)8(15)16/h4-6H2,1-3H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyAZHLKNVWPBLOLA-UHFFFAOYSA-N
XLogP-0.47
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
3-[(2-acetamidoacetyl)amino]-2,2-dimethylpropanoic acid
CID 115427067
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854
2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 66176562
3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428255
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075
2,2-dimethyl-3-(pentanoylamino)propanoic acid
CID 81367765
3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 115427950

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid (CID 115428434) is 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid is CCNC(=O)CNC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is AZHLKNVWPBLOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-4-11-7(14)5-12-9(17)13-6-10(2,3)8(15)16/h4-6H2,1-3H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid?
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).