[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate

C10H15N2O4P — CID 174953315

IUPAC[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OP(N)(=O)OCc1ccccc1
InChIInChI=1S/C10H15N2O4P/c1-8(11)10(13)16-17(12,14)15-7-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H2,12,14)/t8-,17?/m0/s1
InChIKeyQVGABIVFPQIWHN-CLBCNEFWSA-N
MW258.21 g/mol
LogP1.16
Rot. Bonds5

About [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate

[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate (PubChem CID 174953315) has the molecular formula C10H15N2O4P and a molecular weight of 258.21 g/mol. Its IUPAC name is [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate
PubChem CID174953315
Molecular FormulaC10H15N2O4P
Molecular Weight258.21 g/mol
Exact Mass258.08
IUPAC Name[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OP(N)(=O)OCc1ccccc1
InChIInChI=1S/C10H15N2O4P/c1-8(11)10(13)16-17(12,14)15-7-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H2,12,14)/t8-,17?/m0/s1
InChIKeyQVGABIVFPQIWHN-CLBCNEFWSA-N
XLogP1.16
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzyl (2S)-2-aminopropanoate
CID 726858
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
[(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate
CID 20979545
(E)-2-amino-4-[hydroxy(phenylmethoxy)phosphoryl]pent-3-enoic acid
CID 88633321
[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
CID 174823830
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158

Frequently Asked Questions

What is the IUPAC name of [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate?
The IUPAC name of [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate (CID 174953315) is [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate.
What is the SMILES notation for [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate?
The canonical SMILES for [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate is C[C@H](N)C(=O)OP(N)(=O)OCc1ccccc1.
What is the InChIKey of [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate?
The InChIKey is QVGABIVFPQIWHN-CLBCNEFWSA-N. The full InChI is InChI=1S/C10H15N2O4P/c1-8(11)10(13)16-17(12,14)15-7-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H2,12,14)/t8-,17?/m0/s1.
What are the key properties of [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate?
[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate has a molecular weight of 258.21 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate is sourced from PubChem (CID 174953315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).