(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron

C15H18NO3P — CID 139084842

IUPAC(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron
SMILES[CH2-][C@H](C)NP(=O)(Oc1ccccc1)Oc1ccccc1.[H+]
InChIInChI=1S/C15H17NO3P/c1-13(2)16-20(17,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,1H2,2H3,(H,16,17)/q-1/p+1/t13-/m1/s1
InChIKeySZTOULZPBAAGMV-CYBMUJFWSA-O
MW291.29 g/mol
LogP4.18
Rot. Bonds6

About (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron

(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron (PubChem CID 139084842) has the molecular formula C15H18NO3P and a molecular weight of 291.29 g/mol. Its IUPAC name is (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron.

Molecular Properties

Compound Name(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron
PubChem CID139084842
Molecular FormulaC15H18NO3P
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC Name(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron
SMILES[CH2-][C@H](C)NP(=O)(Oc1ccccc1)Oc1ccccc1.[H+]
InChIInChI=1S/C15H17NO3P/c1-13(2)16-20(17,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,1H2,2H3,(H,16,17)/q-1/p+1/t13-/m1/s1
InChIKeySZTOULZPBAAGMV-CYBMUJFWSA-O
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
2-methylpropane;triphenyl phosphate
CID 91193965
(2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine
CID 164590594
3-[[ethoxy(phenoxy)phosphoryl]amino]butan-2-one
CID 123983388
1-diphenoxyphosphoryl-3-propan-2-ylthiourea
CID 139197223
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine
CID 23415563
[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
CID 11865181
N-[methylamino(phenoxy)phosphoryl]methanamine
CID 15643
2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoic acid
CID 166731814
2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoic acid
CID 121344289

Frequently Asked Questions

What is the IUPAC name of (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron?
The IUPAC name of (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron (CID 139084842) is (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron.
What is the SMILES notation for (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron?
The canonical SMILES for (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron is [CH2-][C@H](C)NP(=O)(Oc1ccccc1)Oc1ccccc1.[H+].
What is the InChIKey of (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron?
The InChIKey is SZTOULZPBAAGMV-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H17NO3P/c1-13(2)16-20(17,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,1H2,2H3,(H,16,17)/q-1/p+1/t13-/m1/s1.
What are the key properties of (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron?
(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron has a molecular weight of 291.29 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-diphenoxyphosphorylpropan-2-amine;hydron is sourced from PubChem (CID 139084842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).