methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate

C10H13ClNO3P — CID 123530665

IUPACmethyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate
SMILESCOC(=O)C(C)NP(Cl)Oc1ccccc1
InChIInChI=1S/C10H13ClNO3P/c1-8(10(13)14-2)12-16(11)15-9-6-4-3-5-7-9/h3-8,12H,1-2H3
InChIKeyNMEGLMUDWAOFAA-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.68
Rot. Bonds5

About methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate

methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate (PubChem CID 123530665) has the molecular formula C10H13ClNO3P and a molecular weight of 261.65 g/mol. Its IUPAC name is methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate
PubChem CID123530665
Molecular FormulaC10H13ClNO3P
Molecular Weight261.65 g/mol
Exact Mass261.03
IUPAC Namemethyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate
SMILESCOC(=O)C(C)NP(Cl)Oc1ccccc1
InChIInChI=1S/C10H13ClNO3P/c1-8(10(13)14-2)12-16(11)15-9-6-4-3-5-7-9/h3-8,12H,1-2H3
InChIKeyNMEGLMUDWAOFAA-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[[chloro(phenoxy)phosphanyl]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

Related Compounds

propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
CID 144828748
2,2-dimethylpropyl (2S)-2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
CID 144803948
ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate
CID 144948822
methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate
CID 144654245
methyl 2-anilinopropanoate
CID 3417283
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064
methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate
CID 58475101
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
phenyl (2S)-2-methoxypropanoate
CID 12621314

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate?
The IUPAC name of methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate (CID 123530665) is methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate?
The canonical SMILES for methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate is COC(=O)C(C)NP(Cl)Oc1ccccc1.
What is the InChIKey of methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate?
The InChIKey is NMEGLMUDWAOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClNO3P/c1-8(10(13)14-2)12-16(11)15-9-6-4-3-5-7-9/h3-8,12H,1-2H3.
What are the key properties of methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate?
methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate has a molecular weight of 261.65 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate is sourced from PubChem (CID 123530665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).