4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid

C19H24NO4P — CID 57180154

IUPAC4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid
SMILESCCC(CCC(=O)O)(NP(=O)(O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO4P/c1-2-19(14-13-18(21)22,17-11-7-4-8-12-17)20-25(23,24)15-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyUQSRGNPWQVOPGO-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.13
Rot. Bonds9

About 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid

4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid (PubChem CID 57180154) has the molecular formula C19H24NO4P and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid.

Molecular Properties

Compound Name4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid
PubChem CID57180154
Molecular FormulaC19H24NO4P
Molecular Weight361.38 g/mol
Exact Mass361.14
IUPAC Name4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid
SMILESCCC(CCC(=O)O)(NP(=O)(O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO4P/c1-2-19(14-13-18(21)22,17-11-7-4-8-12-17)20-25(23,24)15-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyUQSRGNPWQVOPGO-UHFFFAOYSA-N
XLogP4.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[benzyl(hydroxy)phosphoryl]amino]-4-naphthalen-2-ylpentanoic acid
CID 54064649
4-amino-4-methylsulfanyl-4-phenylbutanoic acid
CID 70122128
4-[benzyl(hydroxy)phosphoryl]oxy-4-naphthalen-1-ylhexanoic acid
CID 54510241
4-anilino-4-methylhexanoic acid
CID 70438970
benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid
CID 54530386
2-benzyl-2-phosphonopentanedioic acid
CID 20523588
(1-amino-2-phenylbutan-2-yl)carbamic acid
CID 174540690
2-[[benzyl(hydroxy)phosphoryl]amino]-2-(1H-indol-2-yl)propanoic acid
CID 54197699
2-[1-[benzyl(hydroxy)phosphoryl]but-2-enyl]pentanedioic acid
CID 54066349
bis(1-phenylpropane-1,1-diol);phosphoric acid
CID 175284612
2-butyl-2-phenylpentanedioic acid
CID 67892428
benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid
CID 67153231

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid?
The IUPAC name of 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid (CID 57180154) is 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid.
What is the SMILES notation for 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid?
The canonical SMILES for 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid is CCC(CCC(=O)O)(NP(=O)(O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid?
The InChIKey is UQSRGNPWQVOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO4P/c1-2-19(14-13-18(21)22,17-11-7-4-8-12-17)20-25(23,24)15-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid?
4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid has a molecular weight of 361.38 g/mol, XLogP of 4.13, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(hydroxy)phosphoryl]amino]-4-phenylhexanoic acid is sourced from PubChem (CID 57180154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).