[(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid

C7H15N2O3P — CID 70341778

IUPAC[(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid
SMILESN[C@@H]1CCCC[C@@H]1NC(=O)P(O)O
InChIInChI=1S/C7H15N2O3P/c8-5-3-1-2-4-6(5)9-7(10)13(11)12/h5-6,11-12H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyUFOYSIMPNBBQQG-RITPCOANSA-N
MW206.18 g/mol
LogP0.26
Rot. Bonds2

About [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid

[(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid (PubChem CID 70341778) has the molecular formula C7H15N2O3P and a molecular weight of 206.18 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid
PubChem CID70341778
Molecular FormulaC7H15N2O3P
Molecular Weight206.18 g/mol
Exact Mass206.08
IUPAC Name[(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid
SMILESN[C@@H]1CCCC[C@@H]1NC(=O)P(O)O
InChIInChI=1S/C7H15N2O3P/c8-5-3-1-2-4-6(5)9-7(10)13(11)12/h5-6,11-12H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyUFOYSIMPNBBQQG-RITPCOANSA-N
XLogP0.26
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea
CID 102724961
N-(2-aminocyclohexyl)propanamide
CID 61036997
1-(2-aminocyclohexyl)-3-cyclohexylurea
CID 61036875
N-(2-aminocyclohexyl)-2-(methylamino)acetamide
CID 130622235
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
CID 94547428
N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
4-[(2-aminocyclohexyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993018
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
CID 93451955
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310467
N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide
CID 103805761

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid?
The IUPAC name of [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid (CID 70341778) is [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid.
What is the SMILES notation for [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid?
The canonical SMILES for [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid is N[C@@H]1CCCC[C@@H]1NC(=O)P(O)O.
What is the InChIKey of [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid?
The InChIKey is UFOYSIMPNBBQQG-RITPCOANSA-N. The full InChI is InChI=1S/C7H15N2O3P/c8-5-3-1-2-4-6(5)9-7(10)13(11)12/h5-6,11-12H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid?
[(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid has a molecular weight of 206.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid is sourced from PubChem (CID 70341778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).