4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid

C11H23N3O3 — CID 82937416

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

About 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid

4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid (PubChem CID 82937416) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
PubChem CID82937416
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
SMILESCC(CNC(=O)NC(C)CN(C)C)CC(=O)O
InChIInChI=1S/C11H23N3O3/c1-8(5-10(15)16)6-12-11(17)13-9(2)7-14(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,17)
InChIKeyUTJNOOUHMASMDB-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

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Related Compounds

4-[1-(diethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81069065
3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)butanoic acid
CID 81069676
3-(2-methylbutylcarbamoylamino)butanoic acid
CID 62691851
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 81069762
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 82938494
3-methyl-4-[[methyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 81072394
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 82937494
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82939192
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
CID 81068960
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid (CID 82937416) is 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid is CC(CNC(=O)NC(C)CN(C)C)CC(=O)O.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
The InChIKey is UTJNOOUHMASMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-8(5-10(15)16)6-12-11(17)13-9(2)7-14(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-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-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 82937416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).