ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate

C15H20N2O4 — CID 81071877

IUPACethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)C(N)COC)cc1
InChIInChI=1S/C15H20N2O4/c1-3-21-14(18)9-6-11-4-7-12(8-5-11)17-15(19)13(16)10-20-2/h4-9,13H,3,10,16H2,1-2H3,(H,17,19)/b9-6+
InChIKeyRKKVWSJLGOARBU-RMKNXTFCSA-N
MW292.34 g/mol
LogP1.18
Rot. Bonds7

About ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate (PubChem CID 81071877) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate
PubChem CID81071877
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)C(N)COC)cc1
InChIInChI=1S/C15H20N2O4/c1-3-21-14(18)9-6-11-4-7-12(8-5-11)17-15(19)13(16)10-20-2/h4-9,13H,3,10,16H2,1-2H3,(H,17,19)/b9-6+
InChIKeyRKKVWSJLGOARBU-RMKNXTFCSA-N
XLogP1.18
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417
ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate
CID 22113287
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
ethyl (E)-3-[4-[[2-(carbamoylamino)-4-methylpentanoyl]amino]phenyl]prop-2-enoate
CID 42923418
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
ethyl (E)-3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 66931798
ethyl 3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 58866370
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
ethyl (E)-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]prop-2-enoate
CID 27902551
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
ethyl (E)-3-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]prop-2-enoate
CID 27901978
ethyl 3-[4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]phenyl]prop-2-enoate
CID 55686063

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate (CID 81071877) is ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NC(=O)C(N)COC)cc1.
What is the InChIKey of ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate?
The InChIKey is RKKVWSJLGOARBU-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-21-14(18)9-6-11-4-7-12(8-5-11)17-15(19)13(16)10-20-2/h4-9,13H,3,10,16H2,1-2H3,(H,17,19)/b9-6+.
What are the key properties of ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate has a molecular weight of 292.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate is sourced from PubChem (CID 81071877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).