2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid

C9H19ClNO6P — CID 174970335

IUPAC2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid
SMILESCC(NOC1CCCCC1)C(=O)Cl.O=P(O)(O)O
InChIInChI=1S/C9H16ClNO2.H3O4P/c1-7(9(10)12)11-13-8-5-3-2-4-6-8;1-5(2,3)4/h7-8,11H,2-6H2,1H3;(H3,1,2,3,4)
InChIKeyWNXVTOHNFNXQKF-UHFFFAOYSA-N
MW303.68 g/mol
LogP1.07
Rot. Bonds4

About 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid

2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid (PubChem CID 174970335) has the molecular formula C9H19ClNO6P and a molecular weight of 303.68 g/mol. Its IUPAC name is 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid.

Molecular Properties

Compound Name2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid
PubChem CID174970335
Molecular FormulaC9H19ClNO6P
Molecular Weight303.68 g/mol
Exact Mass303.06
IUPAC Name2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid
SMILESCC(NOC1CCCCC1)C(=O)Cl.O=P(O)(O)O
InChIInChI=1S/C9H16ClNO2.H3O4P/c1-7(9(10)12)11-13-8-5-3-2-4-6-8;1-5(2,3)4/h7-8,11H,2-6H2,1H3;(H3,1,2,3,4)
InChIKeyWNXVTOHNFNXQKF-UHFFFAOYSA-N
XLogP1.07
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid
CID 86662569
cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate
CID 90251497
2-chloro-N-cyclopentyloxypropanamide
CID 83228760
cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate
CID 123600330
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
dicyclononyl carbonate
CID 139618210
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
N-cyclopentyloxy-2,3-dimethylbutanamide
CID 83202498
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
cyclooctyl carbonochloridate;ethane
CID 144532416
2-cyclohexylpropanoyl chloride
CID 3016042
N-cyclopentyloxy-1,1-dimethoxypropan-2-amine
CID 83228340

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid?
The IUPAC name of 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid (CID 174970335) is 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid.
What is the SMILES notation for 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid?
The canonical SMILES for 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid is CC(NOC1CCCCC1)C(=O)Cl.O=P(O)(O)O.
What is the InChIKey of 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid?
The InChIKey is WNXVTOHNFNXQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2.H3O4P/c1-7(9(10)12)11-13-8-5-3-2-4-6-8;1-5(2,3)4/h7-8,11H,2-6H2,1H3;(H3,1,2,3,4).
What are the key properties of 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid?
2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid has a molecular weight of 303.68 g/mol, XLogP of 1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid is sourced from PubChem (CID 174970335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).