2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid

C9H19N3O3 — CID 16784119

IUPAC2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
SMILESCN(C)CCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,7(13)14)11-8(15)10-5-6-12(3)4/h5-6H2,1-4H3,(H,13,14)(H2,10,11,15)
InChIKeyTUYWSFRGODKFGT-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.29
Rot. Bonds5

About 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid

2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid (PubChem CID 16784119) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
PubChem CID16784119
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
SMILESCN(C)CCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,7(13)14)11-8(15)10-5-6-12(3)4/h5-6H2,1-4H3,(H,13,14)(H2,10,11,15)
InChIKeyTUYWSFRGODKFGT-UHFFFAOYSA-N
XLogP-0.29
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858
3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
CID 64699841
3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428255
2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 61481256
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
4-[3-(dimethylamino)propylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300125
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
N-[2-(dimethylamino)ethyl]-2-(hydroxyamino)-2-methylpropanamide
CID 118563431
2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
1-[2-(dimethylamino)ethyl]-3-methylurea;propane
CID 158826025
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 82939623

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid (CID 16784119) is 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid is CN(C)CCNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid?
The InChIKey is TUYWSFRGODKFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-9(2,7(13)14)11-8(15)10-5-6-12(3)4/h5-6H2,1-4H3,(H,13,14)(H2,10,11,15).
What are the key properties of 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid?
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid has a molecular weight of 217.27 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 16784119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).