(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol

C11H24NO2P — CID 59011201

IUPAC(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol
SMILESCP(=O)(CC1CCCCC1)C[C@H](O)CN
InChIInChI=1S/C11H24NO2P/c1-15(14,9-11(13)7-12)8-10-5-3-2-4-6-10/h10-11,13H,2-9,12H2,1H3/t11-,15?/m1/s1
InChIKeyJABCJUKJUPPHNO-ZRKZCGFPSA-N
MW233.29 g/mol
LogP1.88
Rot. Bonds5

About (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol

(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol (PubChem CID 59011201) has the molecular formula C11H24NO2P and a molecular weight of 233.29 g/mol. Its IUPAC name is (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol
PubChem CID59011201
Molecular FormulaC11H24NO2P
Molecular Weight233.29 g/mol
Exact Mass233.15
IUPAC Name(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol
SMILESCP(=O)(CC1CCCCC1)C[C@H](O)CN
InChIInChI=1S/C11H24NO2P/c1-15(14,9-11(13)7-12)8-10-5-3-2-4-6-10/h10-11,13H,2-9,12H2,1H3/t11-,15?/m1/s1
InChIKeyJABCJUKJUPPHNO-ZRKZCGFPSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol
CID 10061302
[(2R,6S)-6-amino-2-hydroxy-5-oxoheptyl]-(cyclohexylmethyl)phosphinic acid
CID 159076279
[[(2S)-3-amino-2-hydroxypropyl]-(cyclohexylmethyl)phosphoryl]oxymethyl ethyl carbonate
CID 68719402
[(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 11573547
1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride
CID 68622113
[(2R)-3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 11661400
[(2R)-3-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 11502956
[(2S)-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 66594730
[(2R)-3-[[(2S)-2-arsanyl-4-methylpentanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 172997238
cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 68719250
[(2S)-3-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 66594939
(2S)-2-[[(2R)-2-amino-5-[[(2R)-3-[cyclohexylmethyl(hydroxy)phosphoryl]-2-hydroxypropyl]amino]-5-oxopentanoyl]amino]propanoic acid
CID 11647743

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol?
The IUPAC name of (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol (CID 59011201) is (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol is CP(=O)(CC1CCCCC1)C[C@H](O)CN.
What is the InChIKey of (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol?
The InChIKey is JABCJUKJUPPHNO-ZRKZCGFPSA-N. The full InChI is InChI=1S/C11H24NO2P/c1-15(14,9-11(13)7-12)8-10-5-3-2-4-6-10/h10-11,13H,2-9,12H2,1H3/t11-,15?/m1/s1.
What are the key properties of (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol?
(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol has a molecular weight of 233.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol is sourced from PubChem (CID 59011201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).