4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid

C14H26N2O5 — CID 81037296

IUPAC4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N(C)CCOCC)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O5/c1-4-6-16(12-10-21-9-11(12)13(17)18)14(19)15(3)7-8-20-5-2/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyMVIJHZUESITFAW-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.89
Rot. Bonds8

About 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid

4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 81037296) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID81037296
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N(C)CCOCC)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O5/c1-4-6-16(12-10-21-9-11(12)13(17)18)14(19)15(3)7-8-20-5-2/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyMVIJHZUESITFAW-UHFFFAOYSA-N
XLogP0.89
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-cyanoethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66251544
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746
4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252537
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246291
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66253895
4-[ethyl-[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246552
4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
CID 103018900
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid (CID 81037296) is 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)N(C)CCOCC)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is MVIJHZUESITFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-4-6-16(12-10-21-9-11(12)13(17)18)14(19)15(3)7-8-20-5-2/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid?
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 81037296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).