(2R)-2-(diphenylphosphorylamino)butan-1-ol

C16H20NO2P — CID 57401999

IUPAC(2R)-2-(diphenylphosphorylamino)butan-1-ol
SMILESCC[C@H](CO)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NO2P/c1-2-14(13-18)17-20(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,2,13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyXXLKSKWUWVKHDR-CQSZACIVSA-N
MW289.31 g/mol
LogP2.28
Rot. Bonds6

About (2R)-2-(diphenylphosphorylamino)butan-1-ol

(2R)-2-(diphenylphosphorylamino)butan-1-ol (PubChem CID 57401999) has the molecular formula C16H20NO2P and a molecular weight of 289.31 g/mol. Its IUPAC name is (2R)-2-(diphenylphosphorylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(diphenylphosphorylamino)butan-1-ol
PubChem CID57401999
Molecular FormulaC16H20NO2P
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name(2R)-2-(diphenylphosphorylamino)butan-1-ol
SMILESCC[C@H](CO)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NO2P/c1-2-14(13-18)17-20(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,2,13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyXXLKSKWUWVKHDR-CQSZACIVSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diphenylphosphorylamino)butan-1-ol?
The IUPAC name of (2R)-2-(diphenylphosphorylamino)butan-1-ol (CID 57401999) is (2R)-2-(diphenylphosphorylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(diphenylphosphorylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(diphenylphosphorylamino)butan-1-ol is CC[C@H](CO)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-(diphenylphosphorylamino)butan-1-ol?
The InChIKey is XXLKSKWUWVKHDR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20NO2P/c1-2-14(13-18)17-20(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,18H,2,13H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-2-(diphenylphosphorylamino)butan-1-ol?
(2R)-2-(diphenylphosphorylamino)butan-1-ol has a molecular weight of 289.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diphenylphosphorylamino)butan-1-ol is sourced from PubChem (CID 57401999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).