3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid

C10H21N3O3 — CID 64699841

IUPAC3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
SMILESCN(C)CCNC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H21N3O3/c1-10(2,7-8(14)15)12-9(16)11-5-6-13(3)4/h5-7H2,1-4H3,(H,14,15)(H2,11,12,16)
InChIKeyDGINTBBOTJGQEP-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.10
Rot. Bonds6

About 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid

3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid (PubChem CID 64699841) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
PubChem CID64699841
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
SMILESCN(C)CCNC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H21N3O3/c1-10(2,7-8(14)15)12-9(16)11-5-6-13(3)4/h5-7H2,1-4H3,(H,14,15)(H2,11,12,16)
InChIKeyDGINTBBOTJGQEP-UHFFFAOYSA-N
XLogP0.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic 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

2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
3-methyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 64701489
3-(hex-5-ynylcarbamoylamino)-3-methylbutanoic acid
CID 106216137
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187
3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428255
3-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 64702407
3-methyl-3-[3-(2-methylpropoxy)propylcarbamoylamino]butanoic acid
CID 114098397
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
3-methyl-3-(3-piperazin-1-ylpropylcarbamoylamino)butanoic acid
CID 64700080
3-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106178507
2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858
3-methyl-3-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294878

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid (CID 64699841) is 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid is CN(C)CCNC(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid?
The InChIKey is DGINTBBOTJGQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,7-8(14)15)12-9(16)11-5-6-13(3)4/h5-7H2,1-4H3,(H,14,15)(H2,11,12,16).
What are the key properties of 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid?
3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid has a molecular weight of 231.30 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 64699841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).