4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid

C11H20N2O5 — CID 113280404

IUPAC4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid
SMILESCOCC(C)NC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H20N2O5/c1-8(7-17-2)12-10(16)13-11(9(14)15)3-5-18-6-4-11/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyKFCXQBRHFWJABM-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.05
Rot. Bonds5

About 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid

4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid (PubChem CID 113280404) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid
PubChem CID113280404
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid
SMILESCOCC(C)NC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H20N2O5/c1-8(7-17-2)12-10(16)13-11(9(14)15)3-5-18-6-4-11/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyKFCXQBRHFWJABM-UHFFFAOYSA-N
XLogP-0.05
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methylheptan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 115292985
4-(pent-4-yn-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113478039
4-[(1-methoxypropan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440287
4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
CID 115292421
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid
CID 113280445
4-(2-propan-2-yloxyethylcarbamoylamino)oxane-4-carboxylic acid
CID 104763802
4-(4-methylpent-1-yn-3-ylcarbamoylamino)oxane-4-carboxylic acid
CID 114202687
4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid
CID 113470689
4-(hex-1-yn-3-ylcarbamoylamino)oxane-4-carboxylic acid
CID 106232406
4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
CID 115293093
3-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891249
4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115292996

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid (CID 113280404) is 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid is COCC(C)NC(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid?
The InChIKey is KFCXQBRHFWJABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-8(7-17-2)12-10(16)13-11(9(14)15)3-5-18-6-4-11/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid?
4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 113280404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).