4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid

C11H18N2O6 — CID 66240363

IUPAC4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCOC(=O)CCN(C)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H18N2O6/c1-13(4-3-9(14)18-2)11(17)12-8-6-19-5-7(8)10(15)16/h7-8H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyFVZXKHILYZNSQD-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.71
Rot. Bonds5

About 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid

4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66240363) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66240363
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCOC(=O)CCN(C)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H18N2O6/c1-13(4-3-9(14)18-2)11(17)12-8-6-19-5-7(8)10(15)16/h7-8H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyFVZXKHILYZNSQD-UHFFFAOYSA-N
XLogP-0.71
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816735
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66241556
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815512
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 104553066
4-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238952
4-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238763
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240752
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
4-[[ethyl(3-hydroxypropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 113468852

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid (CID 66240363) is 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid is COC(=O)CCN(C)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is FVZXKHILYZNSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-13(4-3-9(14)18-2)11(17)12-8-6-19-5-7(8)10(15)16/h7-8H,3-6H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).