2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid

C15H18N2O4 — CID 115344511

IUPAC2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
SMILESNc1ccc(/C=C/C(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c16-12-4-1-11(2-5-12)3-6-14(18)17-7-8-21-13(10-17)9-15(19)20/h1-6,13H,7-10,16H2,(H,19,20)/b6-3+
InChIKeyUMOFOGPSTKXGFU-ZZXKWVIFSA-N
MW290.32 g/mol
LogP0.98
Rot. Bonds4

About 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid

2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid (PubChem CID 115344511) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
PubChem CID115344511
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
SMILESNc1ccc(/C=C/C(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c16-12-4-1-11(2-5-12)3-6-14(18)17-7-8-21-13(10-17)9-15(19)20/h1-6,13H,7-10,16H2,(H,19,20)/b6-3+
InChIKeyUMOFOGPSTKXGFU-ZZXKWVIFSA-N
XLogP0.98
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126777192
2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420956
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420759
2-[4-[3-(1-phenylpyrazol-4-yl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126779749
2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
CID 77133331
2-[1-[(E)-3-(4-aminophenyl)prop-2-enoyl]pyrrolidin-3-yl]acetic acid
CID 115344455
2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 77133316
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480
4-[3-[2-(acetamidomethyl)morpholin-4-yl]-3-oxoprop-1-enyl]benzoic acid
CID 126781394
2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
CID 66419978
2-[4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126790434
3-[1-[(E)-3-(4-aminophenyl)prop-2-enoyl]pyrrolidin-3-yl]propanoic acid
CID 115344833

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid (CID 115344511) is 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid is Nc1ccc(/C=C/C(=O)N2CCOC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
The InChIKey is UMOFOGPSTKXGFU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H18N2O4/c16-12-4-1-11(2-5-12)3-6-14(18)17-7-8-21-13(10-17)9-15(19)20/h1-6,13H,7-10,16H2,(H,19,20)/b6-3+.
What are the key properties of 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 115344511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).