(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid

C11H15NO4 — CID 174617548

IUPAC(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NOCCO
InChIInChI=1S/C11H15NO4/c13-6-7-16-12-10(11(14)15)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyUBCREGGMCLGNRL-JTQLQIEISA-N
MW225.24 g/mol
LogP0.20
Rot. Bonds7

About (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid

(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid (PubChem CID 174617548) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid
PubChem CID174617548
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NOCCO
InChIInChI=1S/C11H15NO4/c13-6-7-16-12-10(11(14)15)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyUBCREGGMCLGNRL-JTQLQIEISA-N
XLogP0.20
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.20
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

2-(2-aminoethoxyamino)-3-phenylpropanoic acid
CID 174702432
CID 59686548
CID 59686548
3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081160
(2S)-3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081161
(2S)-2-[3-[benzyl(methyl)amino]propoxyamino]-3-phenylpropanoic acid
CID 54167704
(2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid
CID 54418063
(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781042
(2R)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781041
(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid
CID 87459321
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
3-phenyl-2-(trifluoromethoxyamino)propanoic acid
CID 87603238
(2S)-2-[(2-methylpropan-2-yl)oxyamino]-3-phenylpropanoic acid
CID 22799859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid (CID 174617548) is (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid is O=C(O)[C@H](Cc1ccccc1)NOCCO.
What is the InChIKey of (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid?
The InChIKey is UBCREGGMCLGNRL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO4/c13-6-7-16-12-10(11(14)15)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid?
(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid is sourced from PubChem (CID 174617548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).