2-(2-phenoxyethoxyamino)prop-2-enoic acid

C11H13NO4 — CID 56625837

IUPAC2-(2-phenoxyethoxyamino)prop-2-enoic acid
SMILESC=C(NOCCOc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c1-9(11(13)14)12-16-8-7-15-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2,(H,13,14)
InChIKeyXWRWCWWODGNLPU-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.18
Rot. Bonds7

About 2-(2-phenoxyethoxyamino)prop-2-enoic acid

2-(2-phenoxyethoxyamino)prop-2-enoic acid (PubChem CID 56625837) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(2-phenoxyethoxyamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-phenoxyethoxyamino)prop-2-enoic acid
PubChem CID56625837
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(2-phenoxyethoxyamino)prop-2-enoic acid
SMILESC=C(NOCCOc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c1-9(11(13)14)12-16-8-7-15-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2,(H,13,14)
InChIKeyXWRWCWWODGNLPU-UHFFFAOYSA-N
XLogP1.18
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethoxy)-2-phenylacetamide
CID 110294668
methyl 2-(2-phenoxyethoxy)prop-2-enoate
CID 174353972
N-(2-phenoxyethoxy)cyclopropanecarboxamide
CID 110294647
1-benzyl-3-(2-phenoxyethoxy)urea
CID 110354986
1-cyclopropyl-3-(2-phenoxyethoxy)urea
CID 110311307
N-(2-phenoxyethoxy)furan-2-carboxamide
CID 110294654
4-methoxy-N-(2-phenoxyethoxy)benzamide
CID 110294662
N-(2-phenoxyethoxy)methanamine
CID 117126931
2-phenoxyethyl 2-aminoacetate
CID 61302270
2-(2-methoxyphenoxy)-N-(2-phenoxyethoxy)acetamide
CID 110294693
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide
CID 110294678
2-phenoxyethyl 2-(methylamino)propanoate
CID 62638181

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxyamino)prop-2-enoic acid?
The IUPAC name of 2-(2-phenoxyethoxyamino)prop-2-enoic acid (CID 56625837) is 2-(2-phenoxyethoxyamino)prop-2-enoic acid.
What is the SMILES notation for 2-(2-phenoxyethoxyamino)prop-2-enoic acid?
The canonical SMILES for 2-(2-phenoxyethoxyamino)prop-2-enoic acid is C=C(NOCCOc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenoxyethoxyamino)prop-2-enoic acid?
The InChIKey is XWRWCWWODGNLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-9(11(13)14)12-16-8-7-15-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2,(H,13,14).
What are the key properties of 2-(2-phenoxyethoxyamino)prop-2-enoic acid?
2-(2-phenoxyethoxyamino)prop-2-enoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxyamino)prop-2-enoic acid is sourced from PubChem (CID 56625837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).