5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid

C12H23N3O4 — CID 82938900

IUPAC5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid
SMILESCC(CN(C)C)NC(=O)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C12H23N3O4/c1-8(7-15(2)3)14-12(18)13-6-9-4-5-10(19-9)11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeySDRFVPMCKNBXPT-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.13
Rot. Bonds6

About 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid

5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 82938900) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid
PubChem CID82938900
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid
SMILESCC(CN(C)C)NC(=O)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C12H23N3O4/c1-8(7-15(2)3)14-12(18)13-6-9-4-5-10(19-9)11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeySDRFVPMCKNBXPT-UHFFFAOYSA-N
XLogP-0.13
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,3-dimethylbutan-2-ylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 113457975
5-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 106038884
5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 112602301
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(1-methylsulfanylpropan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103266114
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103263714
5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid
CID 114108984
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797
5-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 62298899

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid (CID 82938900) is 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid is CC(CN(C)C)NC(=O)NCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is SDRFVPMCKNBXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-8(7-15(2)3)14-12(18)13-6-9-4-5-10(19-9)11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid?
5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 82938900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).