3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid

C14H29N3O3 — CID 65264235

IUPAC3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC(CCN(C)C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-10(8-9-17(6)7)15-12(20)16-14(4,5)13(2,3)11(18)19/h10H,8-9H2,1-7H3,(H,18,19)(H2,15,16,20)
InChIKeyYXSFNVXWJXUHFF-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.52
Rot. Bonds7

About 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid

3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 65264235) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
PubChem CID65264235
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC(CCN(C)C)NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-10(8-9-17(6)7)15-12(20)16-14(4,5)13(2,3)11(18)19/h10H,8-9H2,1-7H3,(H,18,19)(H2,15,16,20)
InChIKeyYXSFNVXWJXUHFF-UHFFFAOYSA-N
XLogP1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
3-(1-methoxypropan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266413
2,2,3-trimethyl-3-(propan-2-ylcarbamoylamino)butanoic acid
CID 65266300
3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265715
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 82939623
(2S)-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 54968042
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 65266119
(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107826942
2,2,3-trimethyl-3-(octan-4-ylcarbamoylamino)butanoic acid
CID 106020545
2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide
CID 79813844
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid (CID 65264235) is 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid is CC(CCN(C)C)NC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is YXSFNVXWJXUHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-10(8-9-17(6)7)15-12(20)16-14(4,5)13(2,3)11(18)19/h10H,8-9H2,1-7H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid?
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid has a molecular weight of 287.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65264235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).