(5-amino-5-phenylpentyl)phosphonic acid

C11H18NO3P — CID 138720768

IUPAC(5-amino-5-phenylpentyl)phosphonic acid
SMILESNC(CCCCP(=O)(O)O)c1ccccc1
InChIInChI=1S/C11H18NO3P/c12-11(10-6-2-1-3-7-10)8-4-5-9-16(13,14)15/h1-3,6-7,11H,4-5,8-9,12H2,(H2,13,14,15)
InChIKeyLFYGFTIWWBPCOI-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.03
Rot. Bonds6

About (5-amino-5-phenylpentyl)phosphonic acid

(5-amino-5-phenylpentyl)phosphonic acid (PubChem CID 138720768) has the molecular formula C11H18NO3P and a molecular weight of 243.24 g/mol. Its IUPAC name is (5-amino-5-phenylpentyl)phosphonic acid.

Molecular Properties

Compound Name(5-amino-5-phenylpentyl)phosphonic acid
PubChem CID138720768
Molecular FormulaC11H18NO3P
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name(5-amino-5-phenylpentyl)phosphonic acid
SMILESNC(CCCCP(=O)(O)O)c1ccccc1
InChIInChI=1S/C11H18NO3P/c12-11(10-6-2-1-3-7-10)8-4-5-9-16(13,14)15/h1-3,6-7,11H,4-5,8-9,12H2,(H2,13,14,15)
InChIKeyLFYGFTIWWBPCOI-UHFFFAOYSA-N
XLogP2.03
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-3-phenyl-1-phosphonopropyl)phosphonic acid
CID 18757018
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
chloromethane;1-phenyltridecan-1-amine
CID 175245788
methyl 7-amino-7-phenylheptanoate
CID 139616773
[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682
6-amino-6-(4-phenylphenyl)hexanamide
CID 60862321
diphenylmethanamine;phosphoric acid
CID 67153031
3-amino-3-phenylpropane-1-sulfonic acid
CID 11976922
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967

Frequently Asked Questions

What is the IUPAC name of (5-amino-5-phenylpentyl)phosphonic acid?
The IUPAC name of (5-amino-5-phenylpentyl)phosphonic acid (CID 138720768) is (5-amino-5-phenylpentyl)phosphonic acid.
What is the SMILES notation for (5-amino-5-phenylpentyl)phosphonic acid?
The canonical SMILES for (5-amino-5-phenylpentyl)phosphonic acid is NC(CCCCP(=O)(O)O)c1ccccc1.
What is the InChIKey of (5-amino-5-phenylpentyl)phosphonic acid?
The InChIKey is LFYGFTIWWBPCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3P/c12-11(10-6-2-1-3-7-10)8-4-5-9-16(13,14)15/h1-3,6-7,11H,4-5,8-9,12H2,(H2,13,14,15).
What are the key properties of (5-amino-5-phenylpentyl)phosphonic acid?
(5-amino-5-phenylpentyl)phosphonic acid has a molecular weight of 243.24 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-5-phenylpentyl)phosphonic acid is sourced from PubChem (CID 138720768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).