(1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid

C8H18NO4P — CID 18978348

IUPAC(1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid
SMILESNC(CO)(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C8H18NO4P/c9-8(6-10,14(11,12)13)7-4-2-1-3-5-7/h7,10H,1-6,9H2,(H2,11,12,13)
InChIKeyXNZFVTZZSFRITI-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.39
Rot. Bonds3

About (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid

(1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid (PubChem CID 18978348) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid
PubChem CID18978348
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name(1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid
SMILESNC(CO)(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C8H18NO4P/c9-8(6-10,14(11,12)13)7-4-2-1-3-5-7/h7,10H,1-6,9H2,(H2,11,12,13)
InChIKeyXNZFVTZZSFRITI-UHFFFAOYSA-N
XLogP0.39
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid?
The IUPAC name of (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid (CID 18978348) is (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid.
What is the SMILES notation for (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid?
The canonical SMILES for (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid is NC(CO)(C1CCCCC1)P(=O)(O)O.
What is the InChIKey of (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid?
The InChIKey is XNZFVTZZSFRITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c9-8(6-10,14(11,12)13)7-4-2-1-3-5-7/h7,10H,1-6,9H2,(H2,11,12,13).
What are the key properties of (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid?
(1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid has a molecular weight of 223.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-cyclohexyl-2-hydroxyethyl)phosphonic acid is sourced from PubChem (CID 18978348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).