acetic acid;morpholine-4-carboximidamide

C7H15N3O3 — CID 51064080

IUPACacetic acid;morpholine-4-carboximidamide
SMILESCC(=O)O.[H]/N=C(\N)N1CCOCC1
InChIInChI=1S/C5H11N3O.C2H4O2/c6-5(7)8-1-3-9-4-2-8;1-2(3)4/h1-4H2,(H3,6,7);1H3,(H,3,4)
InChIKeyWZTUWDZSUZKXKG-UHFFFAOYSA-N
MW189.22 g/mol
LogP-0.70
Rot. Bonds

About acetic acid;morpholine-4-carboximidamide

acetic acid;morpholine-4-carboximidamide (PubChem CID 51064080) has the molecular formula C7H15N3O3 and a molecular weight of 189.22 g/mol. Its IUPAC name is acetic acid;morpholine-4-carboximidamide.

Molecular Properties

Compound Nameacetic acid;morpholine-4-carboximidamide
PubChem CID51064080
Molecular FormulaC7H15N3O3
Molecular Weight189.22 g/mol
Exact Mass189.11
IUPAC Nameacetic acid;morpholine-4-carboximidamide
SMILESCC(=O)O.[H]/N=C(\N)N1CCOCC1
InChIInChI=1S/C5H11N3O.C2H4O2/c6-5(7)8-1-3-9-4-2-8;1-2(3)4/h1-4H2,(H3,6,7);1H3,(H,3,4)
InChIKeyWZTUWDZSUZKXKG-UHFFFAOYSA-N
XLogP-0.70
TPSA99.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;morpholine-4-carboximidamide?
The IUPAC name of acetic acid;morpholine-4-carboximidamide (CID 51064080) is acetic acid;morpholine-4-carboximidamide.
What is the SMILES notation for acetic acid;morpholine-4-carboximidamide?
The canonical SMILES for acetic acid;morpholine-4-carboximidamide is CC(=O)O.[H]/N=C(\N)N1CCOCC1.
What is the InChIKey of acetic acid;morpholine-4-carboximidamide?
The InChIKey is WZTUWDZSUZKXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.C2H4O2/c6-5(7)8-1-3-9-4-2-8;1-2(3)4/h1-4H2,(H3,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;morpholine-4-carboximidamide?
acetic acid;morpholine-4-carboximidamide has a molecular weight of 189.22 g/mol, XLogP of -0.70, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;morpholine-4-carboximidamide is sourced from PubChem (CID 51064080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).