propyl 2-(chlorophosphanylamino)propanoate

C6H13ClNO2P — CID 144766666

IUPACpropyl 2-(chlorophosphanylamino)propanoate
SMILESCCCOC(=O)C(C)NPCl
InChIInChI=1S/C6H13ClNO2P/c1-3-4-10-6(9)5(2)8-11-7/h5,8,11H,3-4H2,1-2H3
InChIKeyYZIWSRGPHKWGDQ-UHFFFAOYSA-N
MW197.60 g/mol
LogP1.66
Rot. Bonds5

About propyl 2-(chlorophosphanylamino)propanoate

propyl 2-(chlorophosphanylamino)propanoate (PubChem CID 144766666) has the molecular formula C6H13ClNO2P and a molecular weight of 197.60 g/mol. Its IUPAC name is propyl 2-(chlorophosphanylamino)propanoate.

Molecular Properties

Compound Namepropyl 2-(chlorophosphanylamino)propanoate
PubChem CID144766666
Molecular FormulaC6H13ClNO2P
Molecular Weight197.60 g/mol
Exact Mass197.04
IUPAC Namepropyl 2-(chlorophosphanylamino)propanoate
SMILESCCCOC(=O)C(C)NPCl
InChIInChI=1S/C6H13ClNO2P/c1-3-4-10-6(9)5(2)8-11-7/h5,8,11H,3-4H2,1-2H3
InChIKeyYZIWSRGPHKWGDQ-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate
CID 144766665
propane;propyl (2S)-2-(methylamino)propanoate
CID 171562611
propyl (2S)-2-chloropropanoate
CID 40565872
2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid
CID 163971647
propyl 2-chloro-3-methylbutanoate
CID 139690083
propyl (2R)-2-methylbutanoate
CID 86306230
tetradecyl 2-(propoxycarbonylamino)propanoate
CID 6422780
propyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 57168627
propyl 3-amino-2-methylpropanoate
CID 54192704
propyl (2S,3R)-3-hydroxy-2-methylbutanoate
CID 57018774
dipropyl 2,3-diiodobutanedioate
CID 87640369
propyl (2S)-2-isocyanatopropanoate
CID 165446416

Frequently Asked Questions

What is the IUPAC name of propyl 2-(chlorophosphanylamino)propanoate?
The IUPAC name of propyl 2-(chlorophosphanylamino)propanoate (CID 144766666) is propyl 2-(chlorophosphanylamino)propanoate.
What is the SMILES notation for propyl 2-(chlorophosphanylamino)propanoate?
The canonical SMILES for propyl 2-(chlorophosphanylamino)propanoate is CCCOC(=O)C(C)NPCl.
What is the InChIKey of propyl 2-(chlorophosphanylamino)propanoate?
The InChIKey is YZIWSRGPHKWGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClNO2P/c1-3-4-10-6(9)5(2)8-11-7/h5,8,11H,3-4H2,1-2H3.
What are the key properties of propyl 2-(chlorophosphanylamino)propanoate?
propyl 2-(chlorophosphanylamino)propanoate has a molecular weight of 197.60 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(chlorophosphanylamino)propanoate is sourced from PubChem (CID 144766666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).