propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate

C19H24N2O7P- — CID 163846181

IUPACpropan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate
SMILESCON([O-])c1ccc(O[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)cc1
InChIInChI=1S/C19H24N2O7P/c1-14(2)26-19(22)15(3)20-29(24,27-17-8-6-5-7-9-17)28-18-12-10-16(11-13-18)21(23)25-4/h5-15H,1-4H3,(H,20,24)/q-1/t15-,29+/m0/s1
InChIKeyDZONAZGHPQFIQC-PEGYKEAPSA-N
MW423.38 g/mol
LogP4.05
Rot. Bonds10

About propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate

propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate (PubChem CID 163846181) has the molecular formula C19H24N2O7P- and a molecular weight of 423.38 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate
PubChem CID163846181
Molecular FormulaC19H24N2O7P-
Molecular Weight423.38 g/mol
Exact Mass423.13
IUPAC Namepropan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate
SMILESCON([O-])c1ccc(O[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)cc1
InChIInChI=1S/C19H24N2O7P/c1-14(2)26-19(22)15(3)20-29(24,27-17-8-6-5-7-9-17)28-18-12-10-16(11-13-18)21(23)25-4/h5-15H,1-4H3,(H,20,24)/q-1/t15-,29+/m0/s1
InChIKeyDZONAZGHPQFIQC-PEGYKEAPSA-N
XLogP4.05
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
CID 164823812
propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 53476763
propan-2-yl 2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 87400602
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-(4-phenylphenoxy)phosphoryl]amino]propanoate
CID 118571155
propan-2-yl (2S)-2-[[(2-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 56649062
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
propan-2-yl (2R)-2-[[phenoxy-(2,3,4,6-tetrafluoro-5-methylphenoxy)phosphoryl]amino]propanoate
CID 130377334
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl (2S)-2-[[(4-amino-2-fluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 145103905

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate (CID 163846181) is propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate is CON([O-])c1ccc(O[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)cc1.
What is the InChIKey of propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate?
The InChIKey is DZONAZGHPQFIQC-PEGYKEAPSA-N. The full InChI is InChI=1S/C19H24N2O7P/c1-14(2)26-19(22)15(3)20-29(24,27-17-8-6-5-7-9-17)28-18-12-10-16(11-13-18)21(23)25-4/h5-15H,1-4H3,(H,20,24)/q-1/t15-,29+/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate?
propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate has a molecular weight of 423.38 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 163846181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).