4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid

C12H22N2O5 — CID 113470689

IUPAC4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid
SMILESCOCC(C)(C)NC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H22N2O5/c1-11(2,8-18-3)13-10(17)14-12(9(15)16)4-6-19-7-5-12/h4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyMURMXOKWADAUBO-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.34
Rot. Bonds5

About 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid

4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid (PubChem CID 113470689) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid
PubChem CID113470689
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid
SMILESCOCC(C)(C)NC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H22N2O5/c1-11(2,8-18-3)13-10(17)14-12(9(15)16)4-6-19-7-5-12/h4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyMURMXOKWADAUBO-UHFFFAOYSA-N
XLogP0.34
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylbutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280398
4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280404
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
4-(2,2,2-trifluoroethoxycarbonylamino)oxane-4-carboxylic acid
CID 115291874
4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide
CID 115619331
1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65452446
4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
CID 115292421
4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxylic acid
CID 71222479
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
4-(2-propan-2-yloxyethylcarbamoylamino)oxane-4-carboxylic acid
CID 104763802
4-(5,5,5-trifluoropentylcarbamoylamino)oxane-4-carboxylic acid
CID 115521401

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid (CID 113470689) is 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid is COCC(C)(C)NC(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid?
The InChIKey is MURMXOKWADAUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-11(2,8-18-3)13-10(17)14-12(9(15)16)4-6-19-7-5-12/h4-8H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid?
4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 113470689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).