4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid

C13H24N2O4 — CID 66246896

IUPAC4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(C)C(=O)NC(C)C)C1COCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-15(9(4)12(16)14-8(2)3)11-7-19-6-10(11)13(17)18/h8-11H,5-7H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyMVAYYEPDQAZZIX-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.32
Rot. Bonds6

About 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid

4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid (PubChem CID 66246896) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid
PubChem CID66246896
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(C)C(=O)NC(C)C)C1COCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-15(9(4)12(16)14-8(2)3)11-7-19-6-10(11)13(17)18/h8-11H,5-7H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyMVAYYEPDQAZZIX-UHFFFAOYSA-N
XLogP0.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]oxolane-3-carboxylic acid
CID 66245904
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid
CID 66251302
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246734
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66267510

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid (CID 66246896) is 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid is CCN(C(C)C(=O)NC(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid?
The InChIKey is MVAYYEPDQAZZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-15(9(4)12(16)14-8(2)3)11-7-19-6-10(11)13(17)18/h8-11H,5-7H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).