4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid

C12H22N2O5 — CID 115293279

IUPAC4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(CC(C)(C)O)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H22N2O5/c1-11(2,18)8-14(3)10(17)13-12(9(15)16)4-6-19-7-5-12/h18H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRQIMNCGVDWKTGI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds4

About 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid

4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid (PubChem CID 115293279) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
PubChem CID115293279
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(CC(C)(C)O)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H22N2O5/c1-11(2,18)8-14(3)10(17)13-12(9(15)16)4-6-19-7-5-12/h18H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRQIMNCGVDWKTGI-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79379384
4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292842
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292782
4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115293060
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
4-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
CID 79390007
4-(2-methylbutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280398
3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79864967
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
CID 82742829
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid (CID 115293279) is 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid is CN(CC(C)(C)O)C(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid?
The InChIKey is RQIMNCGVDWKTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-11(2,18)8-14(3)10(17)13-12(9(15)16)4-6-19-7-5-12/h18H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid?
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).