cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate

C19H30NO4P — CID 59853405

IUPACcycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
SMILESCC(C)P(=O)(N[C@@H](C)C(=O)OC1CCCCCC1)Oc1ccccc1
InChIInChI=1S/C19H30NO4P/c1-15(2)25(22,24-18-13-9-6-10-14-18)20-16(3)19(21)23-17-11-7-4-5-8-12-17/h6,9-10,13-17H,4-5,7-8,11-12H2,1-3H3,(H,20,22)/t16-,25?/m0/s1
InChIKeyALFLXXTUKKAXLW-YPHZTSLFSA-N
MW367.43 g/mol
LogP4.91
Rot. Bonds7

About cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate

cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate (PubChem CID 59853405) has the molecular formula C19H30NO4P and a molecular weight of 367.43 g/mol. Its IUPAC name is cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namecycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
PubChem CID59853405
Molecular FormulaC19H30NO4P
Molecular Weight367.43 g/mol
Exact Mass367.19
IUPAC Namecycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
SMILESCC(C)P(=O)(N[C@@H](C)C(=O)OC1CCCCCC1)Oc1ccccc1
InChIInChI=1S/C19H30NO4P/c1-15(2)25(22,24-18-13-9-6-10-14-18)20-16(3)19(21)23-17-11-7-4-5-8-12-17/h6,9-10,13-17H,4-5,7-8,11-12H2,1-3H3,(H,20,22)/t16-,25?/m0/s1
InChIKeyALFLXXTUKKAXLW-YPHZTSLFSA-N
XLogP4.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 170067038
cyclobutyl 2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 72517256
cyclohexyl (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 156835329
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
cyclobutyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;cyclobutyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;cyclobutyl (2S)-2-[[phenoxy-(2,3,4,6-tetrafluoro-5-methylphenoxy)phosphoryl]amino]propanoate
CID 161485657
cyclohexyl 2-[[[(1-cyclohexyloxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]propanoate
CID 123600330
cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate
CID 90251497
benzyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;cyclopentyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[1,3-benzodioxol-5-yloxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[(3-chlorophenoxy)-propan-2-ylphosphoryl]amino]propanoate;propyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 162243620
(2,3,4,5,6-pentafluorophenyl) 5-[[[(1-cyclobutyloxy-1-oxopropan-2-yl)amino]-phenoxyphosphoryl]-fluoromethyl]-1-benzothiophene-2-carboxylate
CID 178108613
spiro[3.3]heptan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 167342612
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
[4-(trifluoromethyl)cyclohexyl] (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 156835301

Frequently Asked Questions

What is the IUPAC name of cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?
The IUPAC name of cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate (CID 59853405) is cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate.
What is the SMILES notation for cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?
The canonical SMILES for cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate is CC(C)P(=O)(N[C@@H](C)C(=O)OC1CCCCCC1)Oc1ccccc1.
What is the InChIKey of cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?
The InChIKey is ALFLXXTUKKAXLW-YPHZTSLFSA-N. The full InChI is InChI=1S/C19H30NO4P/c1-15(2)25(22,24-18-13-9-6-10-14-18)20-16(3)19(21)23-17-11-7-4-5-8-12-17/h6,9-10,13-17H,4-5,7-8,11-12H2,1-3H3,(H,20,22)/t16-,25?/m0/s1.
What are the key properties of cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?
cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate has a molecular weight of 367.43 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate is sourced from PubChem (CID 59853405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).