2-(dihexylphosphanylamino)-3-hydroxypropanoic acid

C15H32NO3P — CID 175069182

IUPAC2-(dihexylphosphanylamino)-3-hydroxypropanoic acid
SMILESCCCCCCP(CCCCCC)NC(CO)C(=O)O
InChIInChI=1S/C15H32NO3P/c1-3-5-7-9-11-20(12-10-8-6-4-2)16-14(13-17)15(18)19/h14,16-17H,3-13H2,1-2H3,(H,18,19)
InChIKeyYLLYRAWRYMPXFN-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.58
Rot. Bonds14

About 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid

2-(dihexylphosphanylamino)-3-hydroxypropanoic acid (PubChem CID 175069182) has the molecular formula C15H32NO3P and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(dihexylphosphanylamino)-3-hydroxypropanoic acid
PubChem CID175069182
Molecular FormulaC15H32NO3P
Molecular Weight305.40 g/mol
Exact Mass305.21
IUPAC Name2-(dihexylphosphanylamino)-3-hydroxypropanoic acid
SMILESCCCCCCP(CCCCCC)NC(CO)C(=O)O
InChIInChI=1S/C15H32NO3P/c1-3-5-7-9-11-20(12-10-8-6-4-2)16-14(13-17)15(18)19/h14,16-17H,3-13H2,1-2H3,(H,18,19)
InChIKeyYLLYRAWRYMPXFN-UHFFFAOYSA-N
XLogP3.58
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[di(docos-13-enoyl)phosphanylamino]-3-hydroxypropanoic acid
CID 173035533
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
3-hydroxy-2-(pentoxyamino)propanoic acid
CID 154790126
(2S)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]propanoic acid
CID 171117019
(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid
CID 87078659
2-octylpropanedioic acid
CID 12972
carbonic acid;trioctylphosphane
CID 174362126
2-nonacosylpropanedioic acid
CID 19851286
carbonic acid;tetradec-7-yne
CID 90353944
2-icosylpropanedioic acid
CID 11582738
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062

Frequently Asked Questions

What is the IUPAC name of 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid (CID 175069182) is 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid is CCCCCCP(CCCCCC)NC(CO)C(=O)O.
What is the InChIKey of 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid?
The InChIKey is YLLYRAWRYMPXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO3P/c1-3-5-7-9-11-20(12-10-8-6-4-2)16-14(13-17)15(18)19/h14,16-17H,3-13H2,1-2H3,(H,18,19).
What are the key properties of 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid?
2-(dihexylphosphanylamino)-3-hydroxypropanoic acid has a molecular weight of 305.40 g/mol, XLogP of 3.58, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihexylphosphanylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 175069182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).