[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid

C11H18NO3P — CID 87221118

IUPAC[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid
SMILESCCC(C)OP(=O)(O)C(N)c1ccccc1
InChIInChI=1S/C11H18NO3P/c1-3-9(2)15-16(13,14)11(12)10-7-5-4-6-8-10/h4-9,11H,3,12H2,1-2H3,(H,13,14)
InChIKeyONDTYPYJEJWFNR-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.64
Rot. Bonds5

About [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid

[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid (PubChem CID 87221118) has the molecular formula C11H18NO3P and a molecular weight of 243.24 g/mol. Its IUPAC name is [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid.

Molecular Properties

Compound Name[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid
PubChem CID87221118
Molecular FormulaC11H18NO3P
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid
SMILESCCC(C)OP(=O)(O)C(N)c1ccccc1
InChIInChI=1S/C11H18NO3P/c1-3-9(2)15-16(13,14)11(12)10-7-5-4-6-8-10/h4-9,11H,3,12H2,1-2H3,(H,13,14)
InChIKeyONDTYPYJEJWFNR-UHFFFAOYSA-N
XLogP2.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl 2-amino-2-phenylacetate;hydrochloride
CID 139951083
[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682
dimethylphosphoryl(phenyl)methanamine;hydrochloride
CID 155819704
[butan-2-yl(butan-2-yloxy)phosphoryl]benzene
CID 141334363
(4-methyl-2-phenylhexyl) dihydrogen phosphate
CID 59746070
butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid
CID 87905295
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
3-methyl-5-phenylheptan-4-amine
CID 105017445
ethyl (2S)-2-phenylpropanoate
CID 7204861
diphenylmethanamine;phosphoric acid
CID 67153031
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
butan-2-yl 2-ethoxy-2-phenylacetate
CID 118039785

Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid?
The IUPAC name of [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid (CID 87221118) is [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid.
What is the SMILES notation for [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid?
The canonical SMILES for [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid is CCC(C)OP(=O)(O)C(N)c1ccccc1.
What is the InChIKey of [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid?
The InChIKey is ONDTYPYJEJWFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3P/c1-3-9(2)15-16(13,14)11(12)10-7-5-4-6-8-10/h4-9,11H,3,12H2,1-2H3,(H,13,14).
What are the key properties of [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid?
[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid has a molecular weight of 243.24 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methyl]-butan-2-yloxyphosphinic acid is sourced from PubChem (CID 87221118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).