3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid

C14H16N2O4 — CID 115277723

IUPAC3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H16N2O4/c17-13(18)5-4-11-2-1-3-12(10-11)15-14(19)16-6-8-20-9-7-16/h1-5,10H,6-9H2,(H,15,19)(H,17,18)
InChIKeyGAHWDDNZVAHEOZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.65
Rot. Bonds3

About 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid

3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid (PubChem CID 115277723) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid
PubChem CID115277723
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H16N2O4/c17-13(18)5-4-11-2-1-3-12(10-11)15-14(19)16-6-8-20-9-7-16/h1-5,10H,6-9H2,(H,15,19)(H,17,18)
InChIKeyGAHWDDNZVAHEOZ-UHFFFAOYSA-N
XLogP1.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-(piperazine-1-carbonylamino)phenyl]prop-2-enoic acid
CID 115340753
N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]morpholine-4-carboxamide
CID 67712660
(E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115340576
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
3-[3-[(3-methylpiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115277726
3-[4-(1,4-oxazepane-4-carbonylamino)phenyl]prop-2-enoic acid
CID 76979174
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
(E)-3-[3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]phenyl]prop-2-enoic acid
CID 114411863
N-(3-formamidophenyl)morpholine-4-carboxamide
CID 168652828
3-[3-(1,4-oxazepane-4-carbonyl)phenyl]prop-2-enoic acid
CID 76979165
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
CID 17205425

Frequently Asked Questions

What is the IUPAC name of 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid (CID 115277723) is 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid is O=C(O)C=Cc1cccc(NC(=O)N2CCOCC2)c1.
What is the InChIKey of 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid?
The InChIKey is GAHWDDNZVAHEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-13(18)5-4-11-2-1-3-12(10-11)15-14(19)16-6-8-20-9-7-16/h1-5,10H,6-9H2,(H,15,19)(H,17,18).
What are the key properties of 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid?
3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid is sourced from PubChem (CID 115277723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).