2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid

C14H28N2O3 — CID 79804080

IUPAC2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)CCC(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-14(7-2,12(17)18)16-13(19)15-11(5)9-8-10(3)4/h10-11H,6-9H2,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyFCFYZSYXIVYJDL-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.75
Rot. Bonds8

About 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid

2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid (PubChem CID 79804080) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
PubChem CID79804080
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)CCC(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-14(7-2,12(17)18)16-13(19)15-11(5)9-8-10(3)4/h10-11H,6-9H2,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyFCFYZSYXIVYJDL-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethoxypropan-2-ylcarbamoylamino)-2-ethylbutanoic acid
CID 79804072
2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 79804484
2-(1-cyclopropylethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804143
2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804151
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
2-ethyl-2-(pent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 106232185
2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
CID 79806625
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
CID 79803549
2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 79815013
2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 79803748
2-(5-methylhexan-2-ylamino)-2-oxoacetic acid
CID 63925332

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid (CID 79804080) is 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid is CCC(CC)(NC(=O)NC(C)CCC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is FCFYZSYXIVYJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-14(7-2,12(17)18)16-13(19)15-11(5)9-8-10(3)4/h10-11H,6-9H2,1-5H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid?
2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 79804080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).