4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid

C10H17N3O5 — CID 113280419

IUPAC4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
SMILESCNC(=O)CNC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H17N3O5/c1-11-7(14)6-12-9(17)13-10(8(15)16)2-4-18-5-3-10/h2-6H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyUNFNOBFBEADDTA-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.33
Rot. Bonds4

About 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid

4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid (PubChem CID 113280419) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
PubChem CID113280419
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
SMILESCNC(=O)CNC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H17N3O5/c1-11-7(14)6-12-9(17)13-10(8(15)16)2-4-18-5-3-10/h2-6H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyUNFNOBFBEADDTA-UHFFFAOYSA-N
XLogP-1.33
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
CID 61199319
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid
CID 113280445
4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]oxane-4-carboxylic acid
CID 115293086
4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
CID 115293093
4-(3-propoxypropylcarbamoylamino)oxane-4-carboxylic acid
CID 82943940
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
4-(2-propan-2-yloxyethylcarbamoylamino)oxane-4-carboxylic acid
CID 104763802
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]oxane-4-carboxylic acid
CID 115293281
3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893261
4-[(2-methylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291747
4-(2-methylbutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280398
4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid
CID 115293317

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid (CID 113280419) is 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid is CNC(=O)CNC(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid?
The InChIKey is UNFNOBFBEADDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-11-7(14)6-12-9(17)13-10(8(15)16)2-4-18-5-3-10/h2-6H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid?
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of -1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 113280419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).