4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid

C11H19N3O5 — CID 66239563

IUPAC4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1COCC1C(=O)O)C(=O)N(C)C
InChIInChI=1S/C11H19N3O5/c1-6(9(15)14(2)3)12-11(18)13-8-5-19-4-7(8)10(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)(H2,12,13,18)
InChIKeyOWJJLVUMNGSNSC-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.14
Rot. Bonds4

About 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid

4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66239563) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66239563
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1COCC1C(=O)O)C(=O)N(C)C
InChIInChI=1S/C11H19N3O5/c1-6(9(15)14(2)3)12-11(18)13-8-5-19-4-7(8)10(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)(H2,12,13,18)
InChIKeyOWJJLVUMNGSNSC-UHFFFAOYSA-N
XLogP-1.14
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892051
4-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
CID 66237613
4-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66238551
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239168
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239571
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239572
4-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240183
4-[Ethyl(2,2,2-trifluoroethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245143
4-[Ethyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246150
4-[Ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
CID 66247266
3-Methyl-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66250959
4-[Propyl(2,2,2-trifluoroethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66251350

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid (CID 66239563) is 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid is CC(NC(=O)NC1COCC1C(=O)O)C(=O)N(C)C.
What is the InChIKey of 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is OWJJLVUMNGSNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-6(9(15)14(2)3)12-11(18)13-8-5-19-4-7(8)10(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)(H2,12,13,18).
What are the key properties of 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid?
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).