5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid

C13H21N2O5P — CID 70073702

IUPAC5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid
SMILESO=C(NNCCCCCP(=O)(O)O)OCc1ccccc1
InChIInChI=1S/C13H21N2O5P/c16-13(20-11-12-7-3-1-4-8-12)15-14-9-5-2-6-10-21(17,18)19/h1,3-4,7-8,14H,2,5-6,9-11H2,(H,15,16)(H2,17,18,19)
InChIKeySJOBIIOKFRVILS-UHFFFAOYSA-N
MW316.29 g/mol
LogP1.77
Rot. Bonds9

About 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid

5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid (PubChem CID 70073702) has the molecular formula C13H21N2O5P and a molecular weight of 316.29 g/mol. Its IUPAC name is 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid.

Molecular Properties

Compound Name5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid
PubChem CID70073702
Molecular FormulaC13H21N2O5P
Molecular Weight316.29 g/mol
Exact Mass316.12
IUPAC Name5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid
SMILESO=C(NNCCCCCP(=O)(O)O)OCc1ccccc1
InChIInChI=1S/C13H21N2O5P/c16-13(20-11-12-7-3-1-4-8-12)15-14-9-5-2-6-10-21(17,18)19/h1,3-4,7-8,14H,2,5-6,9-11H2,(H,15,16)(H2,17,18,19)
InChIKeySJOBIIOKFRVILS-UHFFFAOYSA-N
XLogP1.77
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl-[2-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 11659997
dodecyl-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 19090857
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-(6-methylheptyl)carbamate
CID 59918495
sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid?
The IUPAC name of 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid (CID 70073702) is 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid.
What is the SMILES notation for 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid?
The canonical SMILES for 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid is O=C(NNCCCCCP(=O)(O)O)OCc1ccccc1.
What is the InChIKey of 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid?
The InChIKey is SJOBIIOKFRVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2O5P/c16-13(20-11-12-7-3-1-4-8-12)15-14-9-5-2-6-10-21(17,18)19/h1,3-4,7-8,14H,2,5-6,9-11H2,(H,15,16)(H2,17,18,19).
What are the key properties of 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid?
5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid has a molecular weight of 316.29 g/mol, XLogP of 1.77, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylmethoxycarbonylhydrazinyl)pentylphosphonic acid is sourced from PubChem (CID 70073702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).