[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate

C17H21ClNO5P — CID 87292222

IUPAC[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate
SMILESC[C@H](NOC(C)(C)C)C(=O)OP(=O)(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C17H21ClNO5P/c1-12(19-24-17(2,3)4)16(20)23-25(18,21)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,19H,1-4H3/t12-,25?/m0/s1
InChIKeyBPVDPDRMFNHYQA-UNHBDAOFSA-N
MW385.78 g/mol
LogP4.82
Rot. Bonds6

About [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate

[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate (PubChem CID 87292222) has the molecular formula C17H21ClNO5P and a molecular weight of 385.78 g/mol. Its IUPAC name is [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate.

Molecular Properties

Compound Name[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate
PubChem CID87292222
Molecular FormulaC17H21ClNO5P
Molecular Weight385.78 g/mol
Exact Mass385.08
IUPAC Name[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate
SMILESC[C@H](NOC(C)(C)C)C(=O)OP(=O)(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C17H21ClNO5P/c1-12(19-24-17(2,3)4)16(20)23-25(18,21)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,19H,1-4H3/t12-,25?/m0/s1
InChIKeyBPVDPDRMFNHYQA-UNHBDAOFSA-N
XLogP4.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 122532077
(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
CID 58369210
butyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 59483399
2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate
CID 122527458
1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
CID 23002016
[chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate
CID 20598686
naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91282149
[chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate
CID 91435902
benzyl 3-[chloro(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate
CID 76786008
1-[chloro(naphthalen-1-ylperoxy)phosphoryl]peroxynaphthalene
CID 87221296
[naphthalen-1-yloxy-(4-nitrophenoxy)phosphoryl] (2S)-2-aminopropanoate
CID 175165447
methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate
CID 11502299

Frequently Asked Questions

What is the IUPAC name of [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate?
The IUPAC name of [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate (CID 87292222) is [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate.
What is the SMILES notation for [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate?
The canonical SMILES for [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate is C[C@H](NOC(C)(C)C)C(=O)OP(=O)(Cl)Oc1cccc2ccccc12.
What is the InChIKey of [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate?
The InChIKey is BPVDPDRMFNHYQA-UNHBDAOFSA-N. The full InChI is InChI=1S/C17H21ClNO5P/c1-12(19-24-17(2,3)4)16(20)23-25(18,21)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,19H,1-4H3/t12-,25?/m0/s1.
What are the key properties of [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate?
[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate has a molecular weight of 385.78 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate is sourced from PubChem (CID 87292222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).