cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate

C12H15ClNO4P — CID 87153815

IUPACcyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate
SMILESO=C(CCN[P@@](=O)(Cl)Oc1ccccc1)OC1CC1
InChIInChI=1S/C12H15ClNO4P/c13-19(16,18-11-4-2-1-3-5-11)14-9-8-12(15)17-10-6-7-10/h1-5,10H,6-9H2,(H,14,16)/t19-/m1/s1
InChIKeyXIDONRCOJQDDLS-LJQANCHMSA-N
MW303.68 g/mol
LogP3.10
Rot. Bonds7

About cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate

cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate (PubChem CID 87153815) has the molecular formula C12H15ClNO4P and a molecular weight of 303.68 g/mol. Its IUPAC name is cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namecyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate
PubChem CID87153815
Molecular FormulaC12H15ClNO4P
Molecular Weight303.68 g/mol
Exact Mass303.04
IUPAC Namecyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate
SMILESO=C(CCN[P@@](=O)(Cl)Oc1ccccc1)OC1CC1
InChIInChI=1S/C12H15ClNO4P/c13-19(16,18-11-4-2-1-3-5-11)14-9-8-12(15)17-10-6-7-10/h1-5,10H,6-9H2,(H,14,16)/t19-/m1/s1
InChIKeyXIDONRCOJQDDLS-LJQANCHMSA-N
XLogP3.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate 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 cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate (CID 87153815) is cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate is O=C(CCN[P@@](=O)(Cl)Oc1ccccc1)OC1CC1.
What is the InChIKey of cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is XIDONRCOJQDDLS-LJQANCHMSA-N. The full InChI is InChI=1S/C12H15ClNO4P/c13-19(16,18-11-4-2-1-3-5-11)14-9-8-12(15)17-10-6-7-10/h1-5,10H,6-9H2,(H,14,16)/t19-/m1/s1.
What are the key properties of cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate?
cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 303.68 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 3-[[chloro(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 87153815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).