2-(2-phenylethoxyamino)prop-2-enoic acid

C11H13NO3 — CID 56981541

IUPAC2-(2-phenylethoxyamino)prop-2-enoic acid
SMILESC=C(NOCCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-9(11(13)14)12-15-8-7-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2,(H,13,14)
InChIKeyBRJYEICNNDPUIS-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.35
Rot. Bonds6

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

2-(2-phenylethoxyamino)prop-2-enoic acid (PubChem CID 56981541) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-phenylethoxyamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-phenylethoxyamino)prop-2-enoic acid
PubChem CID56981541
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2-phenylethoxyamino)prop-2-enoic acid
SMILESC=C(NOCCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-9(11(13)14)12-15-8-7-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2,(H,13,14)
InChIKeyBRJYEICNNDPUIS-UHFFFAOYSA-N
XLogP1.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Glycine, N-(phenylmethoxy)-
CID 322231
2-[3-(4-Fluorophenyl)prop-2-enoxyamino]prop-2-enoic acid
CID 56618313
3-Fluoro-2-(3-phenylprop-2-enoxyamino)prop-2-enoic acid
CID 56634144
3-Fluoro-2-[3-(3-methylphenyl)prop-2-enoxyamino]prop-2-enoic acid
CID 56993438
3-Fluoro-2-(3-phenylpropoxyamino)prop-2-enoic acid
CID 57006862
2-[3-(3-Chlorophenyl)propoxyamino]-3-fluoroprop-2-enoic acid
CID 57066695
3-Fluoro-2-[3-(3-methylphenyl)propoxyamino]prop-2-enoic acid
CID 57228540
2-[3-[3-(Trifluoromethyl)phenyl]propoxyamino]prop-2-enoic acid
CID 57270717
[(1Z,3Z)-1-carboxy-5-(4-fluorophenyl)penta-1,3-dienyl]-hydroxyazanium
CID 143149453
5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 176142591
(2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid
CID 143149454
2-Phenylethyl 2-aminoprop-2-enoate
CID 19357551

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxyamino)prop-2-enoic acid?
The IUPAC name of 2-(2-phenylethoxyamino)prop-2-enoic acid (CID 56981541) is 2-(2-phenylethoxyamino)prop-2-enoic acid.
What is the SMILES notation for 2-(2-phenylethoxyamino)prop-2-enoic acid?
The canonical SMILES for 2-(2-phenylethoxyamino)prop-2-enoic acid is C=C(NOCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenylethoxyamino)prop-2-enoic acid?
The InChIKey is BRJYEICNNDPUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-9(11(13)14)12-15-8-7-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2,(H,13,14).
What are the key properties of 2-(2-phenylethoxyamino)prop-2-enoic acid?
2-(2-phenylethoxyamino)prop-2-enoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxyamino)prop-2-enoic acid is sourced from PubChem (CID 56981541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).