2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 66257764

IUPAC2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCNC1COCC1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-15-12-8-20-7-10(12)13(17)16-11-6-4-3-5-9(11)14(18)19/h9-12,15H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyIXPJGHBIOJVAPT-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.37
Rot. Bonds5

About 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid

2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 66257764) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID66257764
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCNC1COCC1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-15-12-8-20-7-10(12)13(17)16-11-6-4-3-5-9(11)14(18)19/h9-12,15H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyIXPJGHBIOJVAPT-UHFFFAOYSA-N
XLogP0.37
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 66257764) is 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid is CCNC1COCC1C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is IXPJGHBIOJVAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-15-12-8-20-7-10(12)13(17)16-11-6-4-3-5-9(11)14(18)19/h9-12,15H,2-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66257764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).