2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid

C14H21NO4 — CID 84747614

IUPAC2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid
SMILESCCOc1cccc(C(NCCCOC)C(=O)O)c1
InChIInChI=1S/C14H21NO4/c1-3-19-12-7-4-6-11(10-12)13(14(16)17)15-8-5-9-18-2/h4,6-7,10,13,15H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyMBBUGYUIRFRIBR-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.84
Rot. Bonds9

About 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid

2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid (PubChem CID 84747614) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid
PubChem CID84747614
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid
SMILESCCOc1cccc(C(NCCCOC)C(=O)O)c1
InChIInChI=1S/C14H21NO4/c1-3-19-12-7-4-6-11(10-12)13(14(16)17)15-8-5-9-18-2/h4,6-7,10,13,15H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyMBBUGYUIRFRIBR-UHFFFAOYSA-N
XLogP1.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
CID 82344816
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
CID 61001176
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
2-(2-methoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84745991
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid?
The IUPAC name of 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid (CID 84747614) is 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid.
What is the SMILES notation for 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid?
The canonical SMILES for 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid is CCOc1cccc(C(NCCCOC)C(=O)O)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid?
The InChIKey is MBBUGYUIRFRIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-19-12-7-4-6-11(10-12)13(14(16)17)15-8-5-9-18-2/h4,6-7,10,13,15H,3,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid?
2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid is sourced from PubChem (CID 84747614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).