4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid

C11H19N3O5 — CID 113280445

IUPAC4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H19N3O5/c1-7(8(15)12-2)13-10(18)14-11(9(16)17)3-5-19-6-4-11/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyBKUUAIIGEDIWIG-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.95
Rot. Bonds4

About 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid

4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid (PubChem CID 113280445) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid
PubChem CID113280445
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H19N3O5/c1-7(8(15)12-2)13-10(18)14-11(9(16)17)3-5-19-6-4-11/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyBKUUAIIGEDIWIG-UHFFFAOYSA-N
XLogP-0.95
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163023
4-(4-methylpent-1-yn-3-ylcarbamoylamino)oxane-4-carboxylic acid
CID 114202687
4-methyl-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465603
4-(6-methylheptan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 115292985
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419
4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280404
4-(pent-4-yn-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113478039
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115292996
4-(hex-1-yn-3-ylcarbamoylamino)oxane-4-carboxylic acid
CID 106232406
4-(2-methylbutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280398
4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
CID 115293093

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid (CID 113280445) is 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid is CNC(=O)C(C)NC(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid?
The InChIKey is BKUUAIIGEDIWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-7(8(15)12-2)13-10(18)14-11(9(16)17)3-5-19-6-4-11/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid?
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of -0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 113280445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).