5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid

C18H22NO5P — CID 19427743

IUPAC5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O
InChIInChI=1S/C18H22NO5P/c20-18(21)11-10-17(19-13-25(22,23)24)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,19H,10-13H2,(H,20,21)(H2,22,23,24)
InChIKeyJPVMUUFYHNMFHF-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.85
Rot. Bonds9

About 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid

5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid (PubChem CID 19427743) has the molecular formula C18H22NO5P and a molecular weight of 363.35 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
PubChem CID19427743
Molecular FormulaC18H22NO5P
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC Name5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O
InChIInChI=1S/C18H22NO5P/c20-18(21)11-10-17(19-13-25(22,23)24)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,19H,10-13H2,(H,20,21)(H2,22,23,24)
InChIKeyJPVMUUFYHNMFHF-UHFFFAOYSA-N
XLogP2.85
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
3-[[(2S)-3-(4-phenylphenyl)-2-(phosphonomethylarsanyl)propanoyl]amino]propanoic acid
CID 173256295
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914
4-[(5-oxo-4H-1,2,4-oxadiazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
CID 136647596
4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
CID 122045784
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700
4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid
CID 90334439
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
(2S)-2-[[(2S)-3-methyl-2-(phosphonomethylamino)butanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 10071569
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid?
The IUPAC name of 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid (CID 19427743) is 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid.
What is the SMILES notation for 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid?
The canonical SMILES for 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid is O=C(O)CCC(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O.
What is the InChIKey of 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid?
The InChIKey is JPVMUUFYHNMFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO5P/c20-18(21)11-10-17(19-13-25(22,23)24)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,19H,10-13H2,(H,20,21)(H2,22,23,24).
What are the key properties of 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid?
5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid has a molecular weight of 363.35 g/mol, XLogP of 2.85, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid is sourced from PubChem (CID 19427743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).