2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid

C14H27N3O4 — CID 103997662

IUPAC2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)C(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-7-8-14(6,11(19)20)17-12(21)15-9(2)10(18)16-13(3,4)5/h9H,7-8H2,1-6H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyVJOUBMKRYLNPKO-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.23
Rot. Bonds6

About 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid

2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid (PubChem CID 103997662) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
PubChem CID103997662
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)C(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-7-8-14(6,11(19)20)17-12(21)15-9(2)10(18)16-13(3,4)5/h9H,7-8H2,1-6H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyVJOUBMKRYLNPKO-UHFFFAOYSA-N
XLogP1.23
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
CID 61187475
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid
CID 113493661
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103997676
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 62843561
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103997677
(2S)-2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107146485
2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
2-(hex-5-yn-3-ylcarbamoylamino)-2-methylpentanoic acid
CID 113364079
2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid
CID 103309128

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid (CID 103997662) is 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)NC(C)C(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid?
The InChIKey is VJOUBMKRYLNPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-7-8-14(6,11(19)20)17-12(21)15-9(2)10(18)16-13(3,4)5/h9H,7-8H2,1-6H3,(H,16,18)(H,19,20)(H2,15,17,21).
What are the key properties of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid?
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 103997662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).