2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid

C14H22NO3P — CID 141175434

IUPAC2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid
SMILESCCCCP(=O)(CCC(N)C(=O)O)c1ccccc1
InChIInChI=1S/C14H22NO3P/c1-2-3-10-19(18,11-9-13(15)14(16)17)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3,(H,16,17)
InChIKeyKILSRNUYPCEFSH-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.28
Rot. Bonds8

About 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid

2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid (PubChem CID 141175434) has the molecular formula C14H22NO3P and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid
PubChem CID141175434
Molecular FormulaC14H22NO3P
Molecular Weight283.31 g/mol
Exact Mass283.13
IUPAC Name2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid
SMILESCCCCP(=O)(CCC(N)C(=O)O)c1ccccc1
InChIInChI=1S/C14H22NO3P/c1-2-3-10-19(18,11-9-13(15)14(16)17)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3,(H,16,17)
InChIKeyKILSRNUYPCEFSH-UHFFFAOYSA-N
XLogP2.28
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.28
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

1,3-bis(dibutylphosphoryl)benzene
CID 23418369
dipentylphosphorylbenzene;methane;1,3,5-trimethylbenzene
CID 174903379
2-amino-4-diphenoxyphosphorylbutanoic acid
CID 23582839
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
2-[phenyl(propyl)phosphoryl]acetic acid
CID 11903752
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S)-2-aminopentacosanoic acid
CID 158815459
1,2-bis(dibutylphosphoryl)benzene
CID 138549467
(2S)-2-aminododecanoic acid
CID 10560640
[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone
CID 58825409
3-[butyl(hydroxy)phosphoryl]-2-phenylpropanoic acid
CID 18472835

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid?
The IUPAC name of 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid (CID 141175434) is 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid.
What is the SMILES notation for 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid?
The canonical SMILES for 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid is CCCCP(=O)(CCC(N)C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid?
The InChIKey is KILSRNUYPCEFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO3P/c1-2-3-10-19(18,11-9-13(15)14(16)17)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid?
2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid has a molecular weight of 283.31 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid is sourced from PubChem (CID 141175434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).