(E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid

C15H18N2O4 — CID 115342291

IUPAC(E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(NC(=O)CC2CNCCO2)cc1
InChIInChI=1S/C15H18N2O4/c18-14(9-13-10-16-7-8-21-13)17-12-4-1-11(2-5-12)3-6-15(19)20/h1-6,13,16H,7-10H2,(H,17,18)(H,19,20)/b6-3+
InChIKeyMGUOLEJUTINDIW-ZZXKWVIFSA-N
MW290.32 g/mol
LogP1.10
Rot. Bonds5

About (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid

(E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid (PubChem CID 115342291) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid
PubChem CID115342291
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(NC(=O)CC2CNCCO2)cc1
InChIInChI=1S/C15H18N2O4/c18-14(9-13-10-16-7-8-21-13)17-12-4-1-11(2-5-12)3-6-15(19)20/h1-6,13,16H,7-10H2,(H,17,18)(H,19,20)/b6-3+
InChIKeyMGUOLEJUTINDIW-ZZXKWVIFSA-N
XLogP1.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
2-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]acetic acid
CID 66427232
N-[4-(diethylamino)phenyl]-2-morpholin-2-ylacetamide
CID 66434949
2-methyl-N-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119685269
N-[4-(2-hydroxyethyl)phenyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 111470973
methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride
CID 119671383
N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
2-morpholin-2-yl-N-(4-propan-2-yloxyphenyl)acetamide
CID 66432987
2-morpholin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119702419
2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
CID 66429113
2-morpholin-2-yl-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669321

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid (CID 115342291) is (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(NC(=O)CC2CNCCO2)cc1.
What is the InChIKey of (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid?
The InChIKey is MGUOLEJUTINDIW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(9-13-10-16-7-8-21-13)17-12-4-1-11(2-5-12)3-6-15(19)20/h1-6,13,16H,7-10H2,(H,17,18)(H,19,20)/b6-3+.
What are the key properties of (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid?
(E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]prop-2-enoic acid is sourced from PubChem (CID 115342291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).