ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate

C15H21ClNO6P — CID 87527133

IUPACethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NP(=O)(Cl)Oc1ccccc1CCC(=O)OC
InChIInChI=1S/C15H21ClNO6P/c1-4-22-15(19)11(2)17-24(16,20)23-13-8-6-5-7-12(13)9-10-14(18)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)/t11-,24?/m1/s1
InChIKeyAHWMEXKWCDIVHT-ZOLQVCMMSA-N
MW377.76 g/mol
LogP3.06
Rot. Bonds9

About ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate

ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate (PubChem CID 87527133) has the molecular formula C15H21ClNO6P and a molecular weight of 377.76 g/mol. Its IUPAC name is ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate
PubChem CID87527133
Molecular FormulaC15H21ClNO6P
Molecular Weight377.76 g/mol
Exact Mass377.08
IUPAC Nameethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NP(=O)(Cl)Oc1ccccc1CCC(=O)OC
InChIInChI=1S/C15H21ClNO6P/c1-4-22-15(19)11(2)17-24(16,20)23-13-8-6-5-7-12(13)9-10-14(18)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)/t11-,24?/m1/s1
InChIKeyAHWMEXKWCDIVHT-ZOLQVCMMSA-N
XLogP3.06
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[[[2-(3-ethoxy-3-oxopropyl)phenoxy]-(4-methylsulfonylphenoxy)phosphoryl]amino]propanoate
CID 86727966
2-methylpropyl 2-[[chloro-(2-chlorophenoxy)phosphoryl]amino]propanoate
CID 123543136
(2-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69010591
butyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 59483399
ethyl (2S)-2-[[chloro-(4-nitrophenoxy)phosphoryl]amino]propanoate
CID 58664005
heptadecyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 168741486
benzyl (2S)-2-[[chloro-(4-methylphenoxy)phosphoryl]amino]propanoate
CID 155759130
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
CID 58369210
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate (CID 87527133) is ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate is CCOC(=O)[C@@H](C)NP(=O)(Cl)Oc1ccccc1CCC(=O)OC.
What is the InChIKey of ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate?
The InChIKey is AHWMEXKWCDIVHT-ZOLQVCMMSA-N. The full InChI is InChI=1S/C15H21ClNO6P/c1-4-22-15(19)11(2)17-24(16,20)23-13-8-6-5-7-12(13)9-10-14(18)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)/t11-,24?/m1/s1.
What are the key properties of ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate?
ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate has a molecular weight of 377.76 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate is sourced from PubChem (CID 87527133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).