4-[amino(hydroxy)phosphanyl]butylphosphonic acid

C4H13NO4P2 — CID 176655418

IUPAC4-[amino(hydroxy)phosphanyl]butylphosphonic acid
SMILESNP(O)CCCCP(=O)(O)O
InChIInChI=1S/C4H13NO4P2/c5-10(6)3-1-2-4-11(7,8)9/h6H,1-5H2,(H2,7,8,9)
InChIKeyQDFWZEOCBUXVTE-UHFFFAOYSA-N
MW201.10 g/mol
LogP0.21
Rot. Bonds5

About 4-[amino(hydroxy)phosphanyl]butylphosphonic acid

4-[amino(hydroxy)phosphanyl]butylphosphonic acid (PubChem CID 176655418) has the molecular formula C4H13NO4P2 and a molecular weight of 201.10 g/mol. Its IUPAC name is 4-[amino(hydroxy)phosphanyl]butylphosphonic acid.

Molecular Properties

Compound Name4-[amino(hydroxy)phosphanyl]butylphosphonic acid
PubChem CID176655418
Molecular FormulaC4H13NO4P2
Molecular Weight201.10 g/mol
Exact Mass201.03
IUPAC Name4-[amino(hydroxy)phosphanyl]butylphosphonic acid
SMILESNP(O)CCCCP(=O)(O)O
InChIInChI=1S/C4H13NO4P2/c5-10(6)3-1-2-4-11(7,8)9/h6H,1-5H2,(H2,7,8,9)
InChIKeyQDFWZEOCBUXVTE-UHFFFAOYSA-N
XLogP0.21
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

5-phosphonopentylphosphonic acid
CID 2773804
ethane-1,2-diamine;4-phosphonobutylphosphonic acid
CID 18320900
4-phosphonobutylphosphonic acid;propane-1,3-diamine
CID 18949670
10-iododecylphosphonic acid
CID 87686645
azane;pentylphosphonic acid
CID 173073704
19-bromononadecylphosphonic acid
CID 87687011
17-iodoheptadecylphosphonic acid
CID 87684337
38-bromooctatriacontylphosphonic acid
CID 87683541
24-sulfanyltetracosylphosphonic acid
CID 87685471
27-bromoheptacosylphosphonic acid
CID 87683484
11-bromoundecylphosphonic acid
CID 87683960
hexylphosphonic acid;octylphosphonic acid
CID 155346901

Frequently Asked Questions

What is the IUPAC name of 4-[amino(hydroxy)phosphanyl]butylphosphonic acid?
The IUPAC name of 4-[amino(hydroxy)phosphanyl]butylphosphonic acid (CID 176655418) is 4-[amino(hydroxy)phosphanyl]butylphosphonic acid.
What is the SMILES notation for 4-[amino(hydroxy)phosphanyl]butylphosphonic acid?
The canonical SMILES for 4-[amino(hydroxy)phosphanyl]butylphosphonic acid is NP(O)CCCCP(=O)(O)O.
What is the InChIKey of 4-[amino(hydroxy)phosphanyl]butylphosphonic acid?
The InChIKey is QDFWZEOCBUXVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO4P2/c5-10(6)3-1-2-4-11(7,8)9/h6H,1-5H2,(H2,7,8,9).
What are the key properties of 4-[amino(hydroxy)phosphanyl]butylphosphonic acid?
4-[amino(hydroxy)phosphanyl]butylphosphonic acid has a molecular weight of 201.10 g/mol, XLogP of 0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(hydroxy)phosphanyl]butylphosphonic acid is sourced from PubChem (CID 176655418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).