4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid

C13H23N3O5 — CID 103111189

IUPAC4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-6-16(5)10(18)8(2)14-12(21)15-9(17)7-13(3,4)11(19)20/h8H,6-7H2,1-5H3,(H,19,20)(H2,14,15,17,21)
InChIKeyGMJJPOXAUMJXOP-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.18
Rot. Bonds6

About 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid

4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 103111189) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID103111189
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C13H23N3O5/c1-6-16(5)10(18)8(2)14-12(21)15-9(17)7-13(3,4)11(19)20/h8H,6-7H2,1-5H3,(H,19,20)(H2,14,15,17,21)
InChIKeyGMJJPOXAUMJXOP-UHFFFAOYSA-N
XLogP0.18
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid with MolForge

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Related Compounds

4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300087
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 104828621
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-3,3-dimethylbutanoic acid
CID 103112692
(2S)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103112496
4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65301594
2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 65300238
2,2-dimethyl-4-(octan-4-ylcarbamoylamino)-4-oxobutanoic acid
CID 106019803
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112551
(2R)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112614
N-ethyl-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 103113639
4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 103112595
4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 103189644

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid (CID 103111189) is 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid is CCN(C)C(=O)C(C)NC(=O)NC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is GMJJPOXAUMJXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-6-16(5)10(18)8(2)14-12(21)15-9(17)7-13(3,4)11(19)20/h8H,6-7H2,1-5H3,(H,19,20)(H2,14,15,17,21).
What are the key properties of 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid?
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 301.34 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103111189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).