2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid

C12H25N3O3 — CID 54958910

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
SMILESCC(C)C(CN(C)C)NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-8(2)9(7-15(5)6)13-11(18)14-12(3,4)10(16)17/h8-9H,7H2,1-6H3,(H,16,17)(H2,13,14,18)
InChIKeyBWRBJYQJQJCYCF-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.74
Rot. Bonds6

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid

2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid (PubChem CID 54958910) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
PubChem CID54958910
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
SMILESCC(C)C(CN(C)C)NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-8(2)9(7-15(5)6)13-11(18)14-12(3,4)10(16)17/h8-9H,7H2,1-6H3,(H,16,17)(H2,13,14,18)
InChIKeyBWRBJYQJQJCYCF-UHFFFAOYSA-N
XLogP0.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
CID 115585870
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 82939623
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125
1-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
CID 115585871
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822020
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 79800969
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 61478777
ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate
CID 61478574
5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 55156179
(2S)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61478566

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid (CID 54958910) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid is CC(C)C(CN(C)C)NC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid?
The InChIKey is BWRBJYQJQJCYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-8(2)9(7-15(5)6)13-11(18)14-12(3,4)10(16)17/h8-9H,7H2,1-6H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid has a molecular weight of 259.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 54958910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).