methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate

C15H19NO3 — CID 144819638

IUPACmethyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate
SMILESC=CC1CC1Oc1ccc(CC(N)C(=O)OC)cc1
InChIInChI=1S/C15H19NO3/c1-3-11-9-14(11)19-12-6-4-10(5-7-12)8-13(16)15(17)18-2/h3-7,11,13-14H,1,8-9,16H2,2H3
InChIKeyLXWGYBBWJVKHAS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.68
Rot. Bonds6

About methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate

methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate (PubChem CID 144819638) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate
PubChem CID144819638
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate
SMILESC=CC1CC1Oc1ccc(CC(N)C(=O)OC)cc1
InChIInChI=1S/C15H19NO3/c1-3-11-9-14(11)19-12-6-4-10(5-7-12)8-13(16)15(17)18-2/h3-7,11,13-14H,1,8-9,16H2,2H3
InChIKeyLXWGYBBWJVKHAS-UHFFFAOYSA-N
XLogP1.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoate
CID 143703835
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
tert-butyl 2-amino-3-(4-prop-2-enoxyphenyl)propanoate
CID 123981961
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
(3S)-3-amino-4-(4-prop-2-enoxyphenyl)butan-2-one
CID 170070468
methyl 2-amino-3-[4-[3-hydroxy-2-(hydroxymethyl)propoxy]phenyl]propanoate
CID 59552371
methyl 2-amino-3-(4-prop-2-ynoxyphenyl)propanoate
CID 61299171
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate (CID 144819638) is methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate is C=CC1CC1Oc1ccc(CC(N)C(=O)OC)cc1.
What is the InChIKey of methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate?
The InChIKey is LXWGYBBWJVKHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-11-9-14(11)19-12-6-4-10(5-7-12)8-13(16)15(17)18-2/h3-7,11,13-14H,1,8-9,16H2,2H3.
What are the key properties of methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate?
methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate has a molecular weight of 261.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate is sourced from PubChem (CID 144819638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).