4-amino-4-phosphonocyclohexane-1-carboxylic acid

C7H14NO5P — CID 130154019

IUPAC4-amino-4-phosphonocyclohexane-1-carboxylic acid
SMILESNC1(P(=O)(O)O)CCC(C(=O)O)CC1
InChIInChI=1S/C7H14NO5P/c8-7(14(11,12)13)3-1-5(2-4-7)6(9)10/h5H,1-4,8H2,(H,9,10)(H2,11,12,13)
InChIKeySDRHWZQBEIZLKJ-UHFFFAOYSA-N
MW223.16 g/mol
LogP0.09
Rot. Bonds2

About 4-amino-4-phosphonocyclohexane-1-carboxylic acid

4-amino-4-phosphonocyclohexane-1-carboxylic acid (PubChem CID 130154019) has the molecular formula C7H14NO5P and a molecular weight of 223.16 g/mol. Its IUPAC name is 4-amino-4-phosphonocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-4-phosphonocyclohexane-1-carboxylic acid
PubChem CID130154019
Molecular FormulaC7H14NO5P
Molecular Weight223.16 g/mol
Exact Mass223.06
IUPAC Name4-amino-4-phosphonocyclohexane-1-carboxylic acid
SMILESNC1(P(=O)(O)O)CCC(C(=O)O)CC1
InChIInChI=1S/C7H14NO5P/c8-7(14(11,12)13)3-1-5(2-4-7)6(9)10/h5H,1-4,8H2,(H,9,10)(H2,11,12,13)
InChIKeySDRHWZQBEIZLKJ-UHFFFAOYSA-N
XLogP0.09
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 86775367
1-chlorocyclohexane-1,4-dicarboxylic acid
CID 21417345
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
3-amino-3-methylcyclohexane-1-carboxylic acid
CID 76540994
4-acetyl-4-hydroxycyclohexane-1-carboxylic acid
CID 118221277
4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid
CID 115017061
4,4-bis(ethenyl)cyclohexane-1-carboxylic acid
CID 139611039
1,2-diaminocyclohexane-1,4-dicarboxylic acid
CID 54492564
cyclopentanecarboxylic acid
CID 18840
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phosphonocyclohexane-1-carboxylic acid?
The IUPAC name of 4-amino-4-phosphonocyclohexane-1-carboxylic acid (CID 130154019) is 4-amino-4-phosphonocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-amino-4-phosphonocyclohexane-1-carboxylic acid?
The canonical SMILES for 4-amino-4-phosphonocyclohexane-1-carboxylic acid is NC1(P(=O)(O)O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-amino-4-phosphonocyclohexane-1-carboxylic acid?
The InChIKey is SDRHWZQBEIZLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO5P/c8-7(14(11,12)13)3-1-5(2-4-7)6(9)10/h5H,1-4,8H2,(H,9,10)(H2,11,12,13).
What are the key properties of 4-amino-4-phosphonocyclohexane-1-carboxylic acid?
4-amino-4-phosphonocyclohexane-1-carboxylic acid has a molecular weight of 223.16 g/mol, XLogP of 0.09, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phosphonocyclohexane-1-carboxylic acid is sourced from PubChem (CID 130154019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).