naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C30H30N3O8P — CID 5481210

IUPACnaphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCc1cn([C@H]2C=C[C@@H](COP(=O)(N[C@@H](C)C(=O)OCc3cccc4ccccc34)Oc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C30H30N3O8P/c1-20-17-33(30(36)31-28(20)34)27-16-15-25(40-27)19-39-42(37,41-24-12-4-3-5-13-24)32-21(2)29(35)38-18-23-11-8-10-22-9-6-7-14-26(22)23/h3-17,21,25,27H,18-19H2,1-2H3,(H,32,37)(H,31,34,36)/t21-,25-,27+,42?/m0/s1
InChIKeyWJYVAUGSXQSMCW-LNGSPKHWSA-N
MW591.56 g/mol
LogP4.38
Rot. Bonds11

About naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 5481210) has the molecular formula C30H30N3O8P and a molecular weight of 591.56 g/mol. Its IUPAC name is naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID5481210
Molecular FormulaC30H30N3O8P
Molecular Weight591.56 g/mol
Exact Mass591.18
IUPAC Namenaphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCc1cn([C@H]2C=C[C@@H](COP(=O)(N[C@@H](C)C(=O)OCc3cccc4ccccc34)Oc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C30H30N3O8P/c1-20-17-33(30(36)31-28(20)34)27-16-15-25(40-27)19-39-42(37,41-24-12-4-3-5-13-24)32-21(2)29(35)38-18-23-11-8-10-22-9-6-7-14-26(22)23/h3-17,21,25,27H,18-19H2,1-2H3,(H,32,37)(H,31,34,36)/t21-,25-,27+,42?/m0/s1
InChIKeyWJYVAUGSXQSMCW-LNGSPKHWSA-N
XLogP4.38
TPSA137.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylpropyl 2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 100930246
methyl (2S)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CID 56590083
methyl 2-[[(3-acetylphenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CID 101041804
acetylene;methyl 2-[[(4-bromophenoxy)-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CID 169257159
methyl 2-[[(4-acetylphenoxy)-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CID 23277438
methyl (2S)-2-[[(2-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CID 516170
methyl (2R)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
CID 11190835
methyl 2-amino-3-[4-[[(1-methoxy-1-oxopropan-2-yl)amino]-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphenyl]propanoate
CID 101011649
methyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]-4-methylsulfanylbutanoate
CID 5480665
tert-butyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]-3-phenylpropanoate
CID 5496077
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione;(2S)-2-[[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoic acid;methane;methyl (2S)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CID 159223262
methyl (2S)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CID 171628855

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 5481210) is naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is Cc1cn([C@H]2C=C[C@@H](COP(=O)(N[C@@H](C)C(=O)OCc3cccc4ccccc34)Oc3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is WJYVAUGSXQSMCW-LNGSPKHWSA-N. The full InChI is InChI=1S/C30H30N3O8P/c1-20-17-33(30(36)31-28(20)34)27-16-15-25(40-27)19-39-42(37,41-24-12-4-3-5-13-24)32-21(2)29(35)38-18-23-11-8-10-22-9-6-7-14-26(22)23/h3-17,21,25,27H,18-19H2,1-2H3,(H,32,37)(H,31,34,36)/t21-,25-,27+,42?/m0/s1.
What are the key properties of naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 591.56 g/mol, XLogP of 4.38, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 5481210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).