2-(1-azidoethoxyamino)-3-phenylpropanoic acid

C11H14N4O3 — CID 155060290

IUPAC2-(1-azidoethoxyamino)-3-phenylpropanoic acid
SMILESCC(N=[N+]=[N-])ONC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N4O3/c1-8(13-15-12)18-14-10(11(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,16,17)
InChIKeyLEKYGGWNUARJDM-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.86
Rot. Bonds7

About 2-(1-azidoethoxyamino)-3-phenylpropanoic acid

2-(1-azidoethoxyamino)-3-phenylpropanoic acid (PubChem CID 155060290) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(1-azidoethoxyamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(1-azidoethoxyamino)-3-phenylpropanoic acid
PubChem CID155060290
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-(1-azidoethoxyamino)-3-phenylpropanoic acid
SMILESCC(N=[N+]=[N-])ONC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N4O3/c1-8(13-15-12)18-14-10(11(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,16,17)
InChIKeyLEKYGGWNUARJDM-UHFFFAOYSA-N
XLogP1.86
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid
CID 87459321
(2S)-2-[(2-methylpropan-2-yl)oxyamino]-3-phenylpropanoic acid
CID 22799859
CID 59686548
CID 59686548
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
3-phenyl-2-(trifluoromethoxyamino)propanoic acid
CID 87603238
(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid
CID 174617548
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014

Frequently Asked Questions

What is the IUPAC name of 2-(1-azidoethoxyamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(1-azidoethoxyamino)-3-phenylpropanoic acid (CID 155060290) is 2-(1-azidoethoxyamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(1-azidoethoxyamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(1-azidoethoxyamino)-3-phenylpropanoic acid is CC(N=[N+]=[N-])ONC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(1-azidoethoxyamino)-3-phenylpropanoic acid?
The InChIKey is LEKYGGWNUARJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-8(13-15-12)18-14-10(11(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,16,17).
What are the key properties of 2-(1-azidoethoxyamino)-3-phenylpropanoic acid?
2-(1-azidoethoxyamino)-3-phenylpropanoic acid has a molecular weight of 250.26 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azidoethoxyamino)-3-phenylpropanoic acid is sourced from PubChem (CID 155060290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).