2-(2-aminoethoxyamino)-3-phenylpropanoic acid

C11H16N2O3 — CID 174702432

IUPAC2-(2-aminoethoxyamino)-3-phenylpropanoic acid
SMILESNCCONC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O3/c12-6-7-16-13-10(11(14)15)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2,(H,14,15)
InChIKeyGCSASKSTJRJANM-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.16
Rot. Bonds7

About 2-(2-aminoethoxyamino)-3-phenylpropanoic acid

2-(2-aminoethoxyamino)-3-phenylpropanoic acid (PubChem CID 174702432) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-aminoethoxyamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-aminoethoxyamino)-3-phenylpropanoic acid
PubChem CID174702432
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-aminoethoxyamino)-3-phenylpropanoic acid
SMILESNCCONC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16N2O3/c12-6-7-16-13-10(11(14)15)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2,(H,14,15)
InChIKeyGCSASKSTJRJANM-UHFFFAOYSA-N
XLogP0.16
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid
CID 174617548
CID 59686548
CID 59686548
(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid
CID 87459321
3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081160
(2S)-3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081161
(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 104902054
(2S)-2-[3-[benzyl(methyl)amino]propoxyamino]-3-phenylpropanoic acid
CID 54167704
(2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid
CID 54418063
3-phenyl-2-(trifluoromethoxyamino)propanoic acid
CID 87603238
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-[(2-methylpropan-2-yl)oxyamino]-3-phenylpropanoic acid
CID 22799859
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxyamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(2-aminoethoxyamino)-3-phenylpropanoic acid (CID 174702432) is 2-(2-aminoethoxyamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(2-aminoethoxyamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(2-aminoethoxyamino)-3-phenylpropanoic acid is NCCONC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-aminoethoxyamino)-3-phenylpropanoic acid?
The InChIKey is GCSASKSTJRJANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-6-7-16-13-10(11(14)15)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2,(H,14,15).
What are the key properties of 2-(2-aminoethoxyamino)-3-phenylpropanoic acid?
2-(2-aminoethoxyamino)-3-phenylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxyamino)-3-phenylpropanoic acid is sourced from PubChem (CID 174702432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).