2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid

C14H24N2O3 — CID 79804151

IUPAC2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)NC(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-3-14(4-2,12(17)18)16-13(19)15-11(9-5-6-9)10-7-8-10/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCNZXVUCAHWZERQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds7

About 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid

2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid (PubChem CID 79804151) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid
PubChem CID79804151
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)NC(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-3-14(4-2,12(17)18)16-13(19)15-11(9-5-6-9)10-7-8-10/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCNZXVUCAHWZERQ-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropylethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804143
2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 79804080
2-(cyclobutylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804222
2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 79804484
2-ethyl-2-(pent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 106232185
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid
CID 79804588
2-(dicyclopropylmethylcarbamoylamino)propanoic acid
CID 61480782
2-(1-ethoxypropan-2-ylcarbamoylamino)-2-ethylbutanoic acid
CID 79804072
2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
CID 61480513
2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
CID 79806625
2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803865

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid?
The IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid (CID 79804151) is 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid?
The canonical SMILES for 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid is CCC(CC)(NC(=O)NC(C1CC1)C1CC1)C(=O)O.
What is the InChIKey of 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid?
The InChIKey is CNZXVUCAHWZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-14(4-2,12(17)18)16-13(19)15-11(9-5-6-9)10-7-8-10/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid?
2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid is sourced from PubChem (CID 79804151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).