methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate

C12H15NO3 — CID 18943724

IUPACmethyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(NCCO)cc1
InChIInChI=1S/C12H15NO3/c1-16-12(15)7-4-10-2-5-11(6-3-10)13-8-9-14/h2-7,13-14H,8-9H2,1H3/b7-4+
InChIKeyDLLPCNOXIXDEGE-QPJJXVBHSA-N
MW221.26 g/mol
LogP1.28
Rot. Bonds5

About methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate

methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate (PubChem CID 18943724) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate
PubChem CID18943724
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(NCCO)cc1
InChIInChI=1S/C12H15NO3/c1-16-12(15)7-4-10-2-5-11(6-3-10)13-8-9-14/h2-7,13-14H,8-9H2,1H3/b7-4+
InChIKeyDLLPCNOXIXDEGE-QPJJXVBHSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[4-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]anilino]methylamino]phenyl]prop-2-enoate
CID 102327819
ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate
CID 22113287
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
sodium 4-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenesulfinate
CID 165454457
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl (E)-3-[4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]phenyl]prop-2-enoate
CID 127051723
methyl (E)-3-[4-(2-oxoethyl)phenyl]prop-2-enoate
CID 10465506
methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate
CID 71365484
methyl (E)-3-[4-(iodomethyl)phenyl]prop-2-enoate
CID 121222493

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate (CID 18943724) is methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(NCCO)cc1.
What is the InChIKey of methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate?
The InChIKey is DLLPCNOXIXDEGE-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-12(15)7-4-10-2-5-11(6-3-10)13-8-9-14/h2-7,13-14H,8-9H2,1H3/b7-4+.
What are the key properties of methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate?
methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate has a molecular weight of 221.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 18943724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).