4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid

C11H23N3O3 — CID 80541974

IUPAC4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)NCC(C)N(C)C)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-8(10(15)16)5-6-12-11(17)13-7-9(2)14(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,17)
InChIKeyXHMXSTYNIDAJCM-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.35
Rot. Bonds7

About 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid

4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid (PubChem CID 80541974) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid
PubChem CID80541974
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)NCC(C)N(C)C)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-8(10(15)16)5-6-12-11(17)13-7-9(2)14(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,17)
InChIKeyXHMXSTYNIDAJCM-UHFFFAOYSA-N
XLogP0.35
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-(dimethylamino)propylcarbamoylamino]-2-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-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 80541843
4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 80540539
4-[(4-amino-4-oxobutyl)carbamoylamino]-2-methylbutanoic acid
CID 80540555
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 104829285
2-methyl-4-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 80540549
2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 80541149
4-(methoxycarbonylamino)-2-methylbutanoic acid
CID 80540364
4-(2-aminobutanoylamino)-2-methylbutanoic acid
CID 80539879
(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid (CID 80541974) is 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid is CC(CCNC(=O)NCC(C)N(C)C)C(=O)O.
What is the InChIKey of 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid?
The InChIKey is XHMXSTYNIDAJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-8(10(15)16)5-6-12-11(17)13-7-9(2)14(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid?
4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 80541974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).