cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate

C19H23ClNO4P — CID 87148068

IUPACcyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
SMILESCC(C)C(NP(=O)(Cl)Oc1cccc2ccccc12)C(=O)OCC1CC1
InChIInChI=1S/C19H23ClNO4P/c1-13(2)18(19(22)24-12-14-10-11-14)21-26(20,23)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13-14,18H,10-12H2,1-2H3,(H,21,23)
InChIKeyUVESYWFBJDZTSO-UHFFFAOYSA-N
MW395.82 g/mol
LogP5.13
Rot. Bonds8

About cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate

cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate (PubChem CID 87148068) has the molecular formula C19H23ClNO4P and a molecular weight of 395.82 g/mol. Its IUPAC name is cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
PubChem CID87148068
Molecular FormulaC19H23ClNO4P
Molecular Weight395.82 g/mol
Exact Mass395.11
IUPAC Namecyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
SMILESCC(C)C(NP(=O)(Cl)Oc1cccc2ccccc12)C(=O)OCC1CC1
InChIInChI=1S/C19H23ClNO4P/c1-13(2)18(19(22)24-12-14-10-11-14)21-26(20,23)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13-14,18H,10-12H2,1-2H3,(H,21,23)
InChIKeyUVESYWFBJDZTSO-UHFFFAOYSA-N
XLogP5.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 55.13
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

[(1S)-1-(2-bromophenyl)ethyl] (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
CID 87147881
(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
cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate
CID 87147629
methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate
CID 11502299
2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 122532077
cyclopentyl (2S)-2-[[1,3-dioxolan-2-ylmethoxy(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 130437776
methyl (2S)-2-[[chloro-(4-methylphenoxy)phosphoryl]amino]-3-methylbutanoate
CID 46914183
[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate
CID 87292222
benzyl 3-[chloro(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate
CID 76786008
2-methylpropyl 2-[[chloro-(2-chlorophenoxy)phosphoryl]amino]propanoate
CID 123543136
benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
CID 146653962

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate?
The IUPAC name of cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate (CID 87148068) is cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate.
What is the SMILES notation for cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate?
The canonical SMILES for cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate is CC(C)C(NP(=O)(Cl)Oc1cccc2ccccc12)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate?
The InChIKey is UVESYWFBJDZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClNO4P/c1-13(2)18(19(22)24-12-14-10-11-14)21-26(20,23)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13-14,18H,10-12H2,1-2H3,(H,21,23).
What are the key properties of cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate?
cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate has a molecular weight of 395.82 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate is sourced from PubChem (CID 87148068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).