4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid

C12H20N2O5 — CID 66246837

IUPAC4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)CN(C)C(C)=O)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-4-14(11(16)5-13(3)8(2)15)10-7-19-6-9(10)12(17)18/h9-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyURGDWRLILCWFMR-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.59
Rot. Bonds5

About 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid

4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66246837) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
PubChem CID66246837
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)CN(C)C(C)=O)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-4-14(11(16)5-13(3)8(2)15)10-7-19-6-9(10)12(17)18/h9-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyURGDWRLILCWFMR-UHFFFAOYSA-N
XLogP-0.59
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245341
4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
CID 112602262
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021
4-[ethyl-[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246552
4-[[2-(cyanomethylsulfanyl)acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66247828
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[[2-cyanopropyl(methyl)carbamoyl]-ethylamino]oxolane-3-carboxylic acid
CID 66245749

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid (CID 66246837) is 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid is CCN(C(=O)CN(C)C(C)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is URGDWRLILCWFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-4-14(11(16)5-13(3)8(2)15)10-7-19-6-9(10)12(17)18/h9-10H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid?
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).