acetic acid;morpholine

C6H13NO3 — CID 11964105

IUPACacetic acid;morpholine
SMILESC1COCCN1.CC(=O)O
InChIInChI=1S/C4H9NO.C2H4O2/c1-3-6-4-2-5-1;1-2(3)4/h5H,1-4H2;1H3,(H,3,4)
InChIKeyMIJRUQYZDSEMBD-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.30
Rot. Bonds

About acetic acid;morpholine

acetic acid;morpholine (PubChem CID 11964105) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is acetic acid;morpholine.

Molecular Properties

Compound Nameacetic acid;morpholine
PubChem CID11964105
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameacetic acid;morpholine
SMILESC1COCCN1.CC(=O)O
InChIInChI=1S/C4H9NO.C2H4O2/c1-3-6-4-2-5-1;1-2(3)4/h5H,1-4H2;1H3,(H,3,4)
InChIKeyMIJRUQYZDSEMBD-UHFFFAOYSA-N
XLogP-0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholin-2-one
CID 19910037
Morpholine, 4-methyl-, acetate (1:1)
CID 44149666
2-Morpholin-4-ium-4-ylacetate
CID 1616939
Carbamic acid-morpholine(1:1)
CID 273113
N-methylmorpholinium trifluoroacetate
CID 67341476
Morpholinium glycolate
CID 71439609
2-(Methylamino)ethyl acetate
CID 11528378
Ethanol, 2-((2-(acetyloxy)ethyl)amino)-
CID 170749
Acetic acid, 2-hydroxy-, compd. with morpholine (1:1)
CID 171869
2-[(2-Methoxyethyl)amino]acetic acid
CID 9964102
Mor-pholinium acetate
CID 10942589
Morpholine formate
CID 13094120

Frequently Asked Questions

What is the IUPAC name of acetic acid;morpholine?
The IUPAC name of acetic acid;morpholine (CID 11964105) is acetic acid;morpholine.
What is the SMILES notation for acetic acid;morpholine?
The canonical SMILES for acetic acid;morpholine is C1COCCN1.CC(=O)O.
What is the InChIKey of acetic acid;morpholine?
The InChIKey is MIJRUQYZDSEMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H4O2/c1-3-6-4-2-5-1;1-2(3)4/h5H,1-4H2;1H3,(H,3,4).
What are the key properties of acetic acid;morpholine?
acetic acid;morpholine has a molecular weight of 147.17 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;morpholine is sourced from PubChem (CID 11964105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).