2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid

C14H19NO4 — CID 65057874

IUPAC2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
SMILESCCOc1cccc(CN(CC(=O)O)C2CC2)c1O
InChIInChI=1S/C14H19NO4/c1-2-19-12-5-3-4-10(14(12)18)8-15(9-13(16)17)11-6-7-11/h3-5,11,18H,2,6-9H2,1H3,(H,16,17)
InChIKeyRVFVDXJRYSJJGI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.84
Rot. Bonds7

About 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid

2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid (PubChem CID 65057874) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
PubChem CID65057874
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
SMILESCCOc1cccc(CN(CC(=O)O)C2CC2)c1O
InChIInChI=1S/C14H19NO4/c1-2-19-12-5-3-4-10(14(12)18)8-15(9-13(16)17)11-6-7-11/h3-5,11,18H,2,6-9H2,1H3,(H,16,17)
InChIKeyRVFVDXJRYSJJGI-UHFFFAOYSA-N
XLogP1.84
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid (CID 65057874) is 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid is CCOc1cccc(CN(CC(=O)O)C2CC2)c1O.
What is the InChIKey of 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid?
The InChIKey is RVFVDXJRYSJJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-12-5-3-4-10(14(12)18)8-15(9-13(16)17)11-6-7-11/h3-5,11,18H,2,6-9H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid?
2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 65057874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).