[(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid

C14H23N2O4P — CID 70545488

IUPAC[(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid
SMILESNC(CCCC(=O)[C@H](N)Cc1ccccc1)CP(=O)(O)O
InChIInChI=1S/C14H23N2O4P/c15-12(10-21(18,19)20)7-4-8-14(17)13(16)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,15-16H2,(H2,18,19,20)/t12?,13-/m1/s1
InChIKeyWITJLFDOIDGKLG-ZGTCLIOFSA-N
MW314.32 g/mol
LogP0.80
Rot. Bonds9

About [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid

[(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid (PubChem CID 70545488) has the molecular formula C14H23N2O4P and a molecular weight of 314.32 g/mol. Its IUPAC name is [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid.

Molecular Properties

Compound Name[(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid
PubChem CID70545488
Molecular FormulaC14H23N2O4P
Molecular Weight314.32 g/mol
Exact Mass314.14
IUPAC Name[(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid
SMILESNC(CCCC(=O)[C@H](N)Cc1ccccc1)CP(=O)(O)O
InChIInChI=1S/C14H23N2O4P/c15-12(10-21(18,19)20)7-4-8-14(17)13(16)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,15-16H2,(H2,18,19,20)/t12?,13-/m1/s1
InChIKeyWITJLFDOIDGKLG-ZGTCLIOFSA-N
XLogP0.80
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,7S)-7-amino-2-benzyl-6-oxo-8-phenyloctanoic acid
CID 163793587
(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
CID 67808687
2-amino-1-phenyldecan-3-one;hydrochloride
CID 3073894
2-amino-1-phenylheptan-3-one;hydrochloride
CID 142731464
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
CID 143599875
3-amino-1,4-diphenylbutan-2-one
CID 20792391
(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54374404
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
[(2S)-2-amino-3-phenylpropanoyl]oxyphosphonamidic acid;[(2R)-2-amino-3-phenylpropanoyl]oxyphosphonamidic acid
CID 175759924

Frequently Asked Questions

What is the IUPAC name of [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid?
The IUPAC name of [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid (CID 70545488) is [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid.
What is the SMILES notation for [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid?
The canonical SMILES for [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid is NC(CCCC(=O)[C@H](N)Cc1ccccc1)CP(=O)(O)O.
What is the InChIKey of [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid?
The InChIKey is WITJLFDOIDGKLG-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H23N2O4P/c15-12(10-21(18,19)20)7-4-8-14(17)13(16)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,15-16H2,(H2,18,19,20)/t12?,13-/m1/s1.
What are the key properties of [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid?
[(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid has a molecular weight of 314.32 g/mol, XLogP of 0.80, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-2,7-diamino-6-oxo-8-phenyloctyl]phosphonic acid is sourced from PubChem (CID 70545488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).