[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid

C9H18NO4P — CID 10037048

IUPAC[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid
SMILESC[C@@H](NC(=O)P(=O)(O)O)C1CCCCC1
InChIInChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1
InChIKeyDFBCBGRDZHMYBK-SSDOTTSWSA-N
MW235.22 g/mol
LogP1.84
Rot. Bonds3

About [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid

[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid (PubChem CID 10037048) has the molecular formula C9H18NO4P and a molecular weight of 235.22 g/mol. Its IUPAC name is [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid.

Molecular Properties

Compound Name[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid
PubChem CID10037048
Molecular FormulaC9H18NO4P
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid
SMILESC[C@@H](NC(=O)P(=O)(O)O)C1CCCCC1
InChIInChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1
InChIKeyDFBCBGRDZHMYBK-SSDOTTSWSA-N
XLogP1.84
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
N-[(1R)-1-cycloheptylethyl]prop-2-enamide
CID 81392730
N-(1-cyclohexylethyl)prop-2-enamide
CID 541857
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide
CID 103029230
N-(1-cyclobutylethyl)acetamide
CID 115769098
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid?
The IUPAC name of [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid (CID 10037048) is [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid.
What is the SMILES notation for [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid?
The canonical SMILES for [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid is C[C@@H](NC(=O)P(=O)(O)O)C1CCCCC1.
What is the InChIKey of [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid?
The InChIKey is DFBCBGRDZHMYBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1.
What are the key properties of [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid?
[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid has a molecular weight of 235.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclohexylethyl]carbamoylphosphonic acid is sourced from PubChem (CID 10037048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).