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

C9H11NO3 — CID 15582761

IUPAC(2S)-2-aminooxy-3-phenylpropanoic acid
SMILESNO[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c10-13-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyBRKLOAHUJZWUQQ-QMMMGPOBSA-N
MW181.19 g/mol
LogP0.57
Rot. Bonds4

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

(2S)-2-aminooxy-3-phenylpropanoic acid (PubChem CID 15582761) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2S)-2-aminooxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-aminooxy-3-phenylpropanoic acid
PubChem CID15582761
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2S)-2-aminooxy-3-phenylpropanoic acid
SMILESNO[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c10-13-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyBRKLOAHUJZWUQQ-QMMMGPOBSA-N
XLogP0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-aminooxy-4-phenylbutan-2-one
CID 177137013
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
2-ethoxy-3-phenylpropanoic acid
CID 54403311
2-(2-methoxyethoxy)-3-phenylpropanoic acid
CID 10176890
3-phenyl-2-(2,2,2-trifluoroacetyl)oxypropanoic acid
CID 174386081
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminooxy-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-aminooxy-3-phenylpropanoic acid (CID 15582761) is (2S)-2-aminooxy-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-aminooxy-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-aminooxy-3-phenylpropanoic acid is NO[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-aminooxy-3-phenylpropanoic acid?
The InChIKey is BRKLOAHUJZWUQQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11NO3/c10-13-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-aminooxy-3-phenylpropanoic acid?
(2S)-2-aminooxy-3-phenylpropanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminooxy-3-phenylpropanoic acid is sourced from PubChem (CID 15582761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).