2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid

C10H21N3O3 — CID 82939623

IUPAC2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C)NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-7(6-13(4)5)11-9(16)12-10(2,3)8(14)15/h7H,6H2,1-5H3,(H,14,15)(H2,11,12,16)
InChIKeyRDMFQINWVGOVLF-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.10
Rot. Bonds5

About 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid

2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid (PubChem CID 82939623) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
PubChem CID82939623
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C)NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-7(6-13(4)5)11-9(16)12-10(2,3)8(14)15/h7H,6H2,1-5H3,(H,14,15)(H2,11,12,16)
InChIKeyRDMFQINWVGOVLF-UHFFFAOYSA-N
XLogP0.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 54958910
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 82938494
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82939192
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65264235
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid
CID 61465806
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 82937494
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82937416
N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide
CID 22973200
2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid (CID 82939623) is 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid is CC(CN(C)C)NC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid?
The InChIKey is RDMFQINWVGOVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(6-13(4)5)11-9(16)12-10(2,3)8(14)15/h7H,6H2,1-5H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid?
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid has a molecular weight of 231.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 82939623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).