4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid

C14H24N2O4 — CID 66245341

IUPAC4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-5-15(7-10(3)4)14(19)16(6-2)12-9-20-8-11(12)13(17)18/h11-12H,3,5-9H2,1-2,4H3,(H,17,18)
InChIKeyJRTMPSJMSUYYBN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.43
Rot. Bonds6

About 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66245341) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66245341
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-5-15(7-10(3)4)14(19)16(6-2)12-9-20-8-11(12)13(17)18/h11-12H,3,5-9H2,1-2,4H3,(H,17,18)
InChIKeyJRTMPSJMSUYYBN-UHFFFAOYSA-N
XLogP1.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79482624
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66253895
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl-[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246552
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[[2-cyanopropyl(methyl)carbamoyl]-ethylamino]oxolane-3-carboxylic acid
CID 66245749
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66245341) is 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid is C=C(C)CN(CC)C(=O)N(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is JRTMPSJMSUYYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-5-15(7-10(3)4)14(19)16(6-2)12-9-20-8-11(12)13(17)18/h11-12H,3,5-9H2,1-2,4H3,(H,17,18).
What are the key properties of 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).