2-(morpholine-4-carbonylamino)ethylcarbamic acid

C8H15N3O4 — CID 118326361

IUPAC2-(morpholine-4-carbonylamino)ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)N1CCOCC1
InChIInChI=1S/C8H15N3O4/c12-7(9-1-2-10-8(13)14)11-3-5-15-6-4-11/h10H,1-6H2,(H,9,12)(H,13,14)
InChIKeyUQOXJIYAMPWTSH-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.70
Rot. Bonds3

About 2-(morpholine-4-carbonylamino)ethylcarbamic acid

2-(morpholine-4-carbonylamino)ethylcarbamic acid (PubChem CID 118326361) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(morpholine-4-carbonylamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(morpholine-4-carbonylamino)ethylcarbamic acid
PubChem CID118326361
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-(morpholine-4-carbonylamino)ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)N1CCOCC1
InChIInChI=1S/C8H15N3O4/c12-7(9-1-2-10-8(13)14)11-3-5-15-6-4-11/h10H,1-6H2,(H,9,12)(H,13,14)
InChIKeyUQOXJIYAMPWTSH-UHFFFAOYSA-N
XLogP-0.70
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonylamino)ethylcarbamic acid?
The IUPAC name of 2-(morpholine-4-carbonylamino)ethylcarbamic acid (CID 118326361) is 2-(morpholine-4-carbonylamino)ethylcarbamic acid.
What is the SMILES notation for 2-(morpholine-4-carbonylamino)ethylcarbamic acid?
The canonical SMILES for 2-(morpholine-4-carbonylamino)ethylcarbamic acid is O=C(O)NCCNC(=O)N1CCOCC1.
What is the InChIKey of 2-(morpholine-4-carbonylamino)ethylcarbamic acid?
The InChIKey is UQOXJIYAMPWTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c12-7(9-1-2-10-8(13)14)11-3-5-15-6-4-11/h10H,1-6H2,(H,9,12)(H,13,14).
What are the key properties of 2-(morpholine-4-carbonylamino)ethylcarbamic acid?
2-(morpholine-4-carbonylamino)ethylcarbamic acid has a molecular weight of 217.22 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonylamino)ethylcarbamic acid is sourced from PubChem (CID 118326361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).