2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid

C15H28N2O4 — CID 65300238

IUPAC2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid
SMILESCC(C)CCCC(C)NC(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-10(2)7-6-8-11(3)16-14(21)17-12(18)9-15(4,5)13(19)20/h10-11H,6-9H2,1-5H3,(H,19,20)(H2,16,17,18,21)
InChIKeyTWFPKXLYZJXSRB-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.53
Rot. Bonds8

About 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid

2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 65300238) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid
PubChem CID65300238
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid
SMILESCC(C)CCCC(C)NC(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-10(2)7-6-8-11(3)16-14(21)17-12(18)9-15(4,5)13(19)20/h10-11H,6-9H2,1-5H3,(H,19,20)(H2,16,17,18,21)
InChIKeyTWFPKXLYZJXSRB-UHFFFAOYSA-N
XLogP2.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 104828621
4-(1-ethoxypropan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65301594
2,2-dimethyl-4-(octan-4-ylcarbamoylamino)-4-oxobutanoic acid
CID 106019803
2,2-dimethyl-4-oxo-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 65300289
3-chloro-N-(6-methylheptan-2-ylcarbamoyl)propanamide
CID 54952807
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300087
2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61470498
4-(hex-1-yn-3-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 114161407
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 103111189
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2,2-dimethyl-4-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 65300338

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid (CID 65300238) is 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid is CC(C)CCCC(C)NC(=O)NC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is TWFPKXLYZJXSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(2)7-6-8-11(3)16-14(21)17-12(18)9-15(4,5)13(19)20/h10-11H,6-9H2,1-5H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid?
2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(6-methylheptan-2-ylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 65300238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).