2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid

C8H14NO3P — CID 91496704

IUPAC2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid
SMILESO=C(O)C(NP)=C1CCCC(O)C1
InChIInChI=1S/C8H14NO3P/c10-6-3-1-2-5(4-6)7(9-13)8(11)12/h6,9-10H,1-4,13H2,(H,11,12)
InChIKeyYNYNJFVEAZYYEH-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.64
Rot. Bonds2

About 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid

2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid (PubChem CID 91496704) has the molecular formula C8H14NO3P and a molecular weight of 203.18 g/mol. Its IUPAC name is 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid
PubChem CID91496704
Molecular FormulaC8H14NO3P
Molecular Weight203.18 g/mol
Exact Mass203.07
IUPAC Name2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid
SMILESO=C(O)C(NP)=C1CCCC(O)C1
InChIInChI=1S/C8H14NO3P/c10-6-3-1-2-5(4-6)7(9-13)8(11)12/h6,9-10H,1-4,13H2,(H,11,12)
InChIKeyYNYNJFVEAZYYEH-UHFFFAOYSA-N
XLogP0.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid?
The IUPAC name of 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid (CID 91496704) is 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid.
What is the SMILES notation for 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid?
The canonical SMILES for 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid is O=C(O)C(NP)=C1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid?
The InChIKey is YNYNJFVEAZYYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO3P/c10-6-3-1-2-5(4-6)7(9-13)8(11)12/h6,9-10H,1-4,13H2,(H,11,12).
What are the key properties of 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid?
2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid has a molecular weight of 203.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxycyclohexylidene)-2-(phosphanylamino)acetic acid is sourced from PubChem (CID 91496704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).