(2S)-2-(phenoxyamino)propanoic acid

C9H11NO3 — CID 88593893

IUPAC(2S)-2-(phenoxyamino)propanoic acid
SMILESC[C@H](NOc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-7(9(11)12)10-13-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/t7-/m0/s1
InChIKeyKRFHWYYZEDSECY-ZETCQYMHSA-N
MW181.19 g/mol
LogP1.04
Rot. Bonds4

About (2S)-2-(phenoxyamino)propanoic acid

(2S)-2-(phenoxyamino)propanoic acid (PubChem CID 88593893) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2S)-2-(phenoxyamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(phenoxyamino)propanoic acid
PubChem CID88593893
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2S)-2-(phenoxyamino)propanoic acid
SMILESC[C@H](NOc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-7(9(11)12)10-13-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/t7-/m0/s1
InChIKeyKRFHWYYZEDSECY-ZETCQYMHSA-N
XLogP1.04
TPSA58.56 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 ≤ 51.04
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

phenyl 2-(hydroxyamino)propanoate
CID 88707618
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
anisole;2-sulfanylpropanoic acid
CID 88749796
2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid
CID 82042687
2-(1-carboxyethylamino)-2-phenoxypropanoic acid
CID 69471950
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-anilinopropanoic acid;hydrochloride
CID 19096756
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
2-[(1-phenoxycyclopropanecarbonyl)amino]propanoic acid
CID 122107689
3-[ethyl(phenoxycarbonyl)amino]-2-methylpropanoic acid
CID 62827922
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenoxyamino)propanoic acid?
The IUPAC name of (2S)-2-(phenoxyamino)propanoic acid (CID 88593893) is (2S)-2-(phenoxyamino)propanoic acid.
What is the SMILES notation for (2S)-2-(phenoxyamino)propanoic acid?
The canonical SMILES for (2S)-2-(phenoxyamino)propanoic acid is C[C@H](NOc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(phenoxyamino)propanoic acid?
The InChIKey is KRFHWYYZEDSECY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7(9(11)12)10-13-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-(phenoxyamino)propanoic acid?
(2S)-2-(phenoxyamino)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenoxyamino)propanoic acid is sourced from PubChem (CID 88593893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).