2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid

C14H17NO5 — CID 22160443

IUPAC2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid
SMILESC=CCOC(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H17NO5/c1-2-9-19-14(18)15-8-7-11-3-5-12(6-4-11)20-10-13(16)17/h2-6H,1,7-10H2,(H,15,18)(H,16,17)
InChIKeyYPFSSQSHHNQAPU-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.60
Rot. Bonds8

About 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid

2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid (PubChem CID 22160443) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid
PubChem CID22160443
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid
SMILESC=CCOC(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H17NO5/c1-2-9-19-14(18)15-8-7-11-3-5-12(6-4-11)20-10-13(16)17/h2-6H,1,7-10H2,(H,15,18)(H,16,17)
InChIKeyYPFSSQSHHNQAPU-UHFFFAOYSA-N
XLogP1.60
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 127503444
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 155534232
prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 67919517
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[3-bromo-5-[(prop-2-enoxycarbonylamino)methyl]phenoxy]acetic acid
CID 167732051
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
CID 170185856

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid (CID 22160443) is 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid is C=CCOC(=O)NCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid?
The InChIKey is YPFSSQSHHNQAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-2-9-19-14(18)15-8-7-11-3-5-12(6-4-11)20-10-13(16)17/h2-6H,1,7-10H2,(H,15,18)(H,16,17).
What are the key properties of 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid?
2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid is sourced from PubChem (CID 22160443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).