4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid

C14H27N3O4 — CID 103189644

IUPAC4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)NC(=O)CC(C)(C)C(=O)O)C(C)CN(C)C
InChIInChI=1S/C14H27N3O4/c1-7-17(10(2)9-16(5)6)13(21)15-11(18)8-14(3,4)12(19)20/h10H,7-9H2,1-6H3,(H,19,20)(H,15,18,21)
InChIKeyDEJLLSGFVPKRAG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.00
Rot. Bonds7

About 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid

4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 103189644) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID103189644
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)NC(=O)CC(C)(C)C(=O)O)C(C)CN(C)C
InChIInChI=1S/C14H27N3O4/c1-7-17(10(2)9-16(5)6)13(21)15-11(18)8-14(3,4)12(19)20/h10H,7-9H2,1-6H3,(H,19,20)(H,15,18,21)
InChIKeyDEJLLSGFVPKRAG-UHFFFAOYSA-N
XLogP1.00
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid with MolForge

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Related Compounds

Sakacin A
CID 382302
4-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299648
2,2-Dimethyl-4-oxo-4-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 65299649
2,2-Dimethyl-4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65300034
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300390
2,2-Dimethyl-4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 65301299
2,2-Dimethyl-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65538488
2,2-Dimethyl-4-oxo-4-(4,4,4-trifluorobutan-2-ylcarbamoylamino)butanoic acid
CID 105939123
4-[[2,2-Difluoroethyl(methyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 113502772
(3S)-3-amino-4-[[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]ethyl]amino]-4-oxobutanoic acid
CID 18601640
(3S)-3-amino-4-oxo-4-[1-(2,2,4-trimethylpentanoylamino)ethylamino]butanoic acid
CID 18601642
(3S)-3-amino-4-oxo-4-[[(1R)-1-(2,2,4-trimethylpentanoylamino)ethyl]amino]butanoic acid
CID 18601643

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid (CID 103189644) is 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid is CCN(C(=O)NC(=O)CC(C)(C)C(=O)O)C(C)CN(C)C.
What is the InChIKey of 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is DEJLLSGFVPKRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-7-17(10(2)9-16(5)6)13(21)15-11(18)8-14(3,4)12(19)20/h10H,7-9H2,1-6H3,(H,19,20)(H,15,18,21).
What are the key properties of 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103189644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).