2-(2-phenoxyethylamino)acetic acid

C10H13NO3 — CID 13236095

IUPAC2-(2-phenoxyethylamino)acetic acid
SMILESO=C(O)CNCCOc1ccccc1
InChIInChI=1S/C10H13NO3/c12-10(13)8-11-6-7-14-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13)
InChIKeyXVIGHCOSDJCNCI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.74
Rot. Bonds6

About 2-(2-phenoxyethylamino)acetic acid

2-(2-phenoxyethylamino)acetic acid (PubChem CID 13236095) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-phenoxyethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-phenoxyethylamino)acetic acid
PubChem CID13236095
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(2-phenoxyethylamino)acetic acid
SMILESO=C(O)CNCCOc1ccccc1
InChIInChI=1S/C10H13NO3/c12-10(13)8-11-6-7-14-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13)
InChIKeyXVIGHCOSDJCNCI-UHFFFAOYSA-N
XLogP0.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromophenoxy)ethylamino]acetic acid
CID 43466024
N-ethyl-2-(2-phenoxyethylamino)acetamide
CID 60674230
tert-butyl 2-(2-phenoxyethylamino)acetate
CID 60676799
N-(4-chlorophenyl)-2-(2-phenoxyethylamino)acetamide
CID 60647399
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
2-(sulfinoamino)ethoxybenzene
CID 19891359
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
CID 94689863
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190
9-phenoxynonanoic acid
CID 15887638

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethylamino)acetic acid?
The IUPAC name of 2-(2-phenoxyethylamino)acetic acid (CID 13236095) is 2-(2-phenoxyethylamino)acetic acid.
What is the SMILES notation for 2-(2-phenoxyethylamino)acetic acid?
The canonical SMILES for 2-(2-phenoxyethylamino)acetic acid is O=C(O)CNCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethylamino)acetic acid?
The InChIKey is XVIGHCOSDJCNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)8-11-6-7-14-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13).
What are the key properties of 2-(2-phenoxyethylamino)acetic acid?
2-(2-phenoxyethylamino)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethylamino)acetic acid is sourced from PubChem (CID 13236095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).