2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid

C11H16NO4P — CID 18472741

IUPAC2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid
SMILESCCC(NP(=O)(O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16NO4P/c1-2-10(11(13)14)12-17(15,16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyONFDYNIMZPDDPU-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.82
Rot. Bonds6

About 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid

2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid (PubChem CID 18472741) has the molecular formula C11H16NO4P and a molecular weight of 257.23 g/mol. Its IUPAC name is 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid
PubChem CID18472741
Molecular FormulaC11H16NO4P
Molecular Weight257.23 g/mol
Exact Mass257.08
IUPAC Name2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid
SMILESCCC(NP(=O)(O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H16NO4P/c1-2-10(11(13)14)12-17(15,16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyONFDYNIMZPDDPU-UHFFFAOYSA-N
XLogP1.82
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.82
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

2-[[benzyl(hydroxy)phosphoryl]amino]-3-(2,3,4-trimethoxyphenyl)propanoic acid
CID 142639824
2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid
CID 54359445
2-[[benzyl(hydroxy)phosphoryl]amino]-3-(oxolan-2-yl)propanoic acid
CID 18472800
2-[[hydroxy-[(3-methylphenyl)methyl]phosphoryl]amino]pentanedioic acid
CID 18403192
2-(diethylphosphorylamino)-3-phenylpropanoic acid
CID 134097775
2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid
CID 18403144
2-[[hydroxy-[[3-(trifluoromethyl)phenyl]methyl]phosphoryl]amino]pentanedioic acid
CID 18472848
N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid
CID 151854036
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
2-(4-phenylbutan-2-ylamino)butanoic acid
CID 64669361
benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid
CID 54530386
benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid
CID 67153231

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid?
The IUPAC name of 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid (CID 18472741) is 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid.
What is the SMILES notation for 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid?
The canonical SMILES for 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid is CCC(NP(=O)(O)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid?
The InChIKey is ONFDYNIMZPDDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO4P/c1-2-10(11(13)14)12-17(15,16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid?
2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid has a molecular weight of 257.23 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid is sourced from PubChem (CID 18472741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).