2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate

C19H26NO4P — CID 122532077

IUPAC2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate
SMILESC[C@@H](NP(C)(=O)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C
InChIInChI=1S/C19H26NO4P/c1-14(18(21)23-13-19(2,3)4)20-25(5,22)24-17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14H,13H2,1-5H3,(H,20,22)/t14-,25?/m1/s1
InChIKeyNMZBLDFYESIQSK-SUUGVPPDSA-N
MW363.39 g/mol
LogP4.61
Rot. Bonds6

About 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate

2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate (PubChem CID 122532077) has the molecular formula C19H26NO4P and a molecular weight of 363.39 g/mol. Its IUPAC name is 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate
PubChem CID122532077
Molecular FormulaC19H26NO4P
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate
SMILESC[C@@H](NP(C)(=O)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C
InChIInChI=1S/C19H26NO4P/c1-14(18(21)23-13-19(2,3)4)20-25(5,22)24-17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14H,13H2,1-5H3,(H,20,22)/t14-,25?/m1/s1
InChIKeyNMZBLDFYESIQSK-SUUGVPPDSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]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

2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate
CID 122527458
2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 160852821
butyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 59483399
N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid
CID 90050405
(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
CID 58369210
[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate
CID 87292222
benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
CID 146653962
2,2-dimethylpropyl (2S)-2-[[[(2R,3R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 157083623
1-dinaphthalen-1-yloxyphosphoryl-2,2-dimethylpropan-1-one
CID 23002016
2,2-dimethylpropyl (2S)-2-[[[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 86578778
2,2-dimethylpropyl (2S)-2-[[[(1R,3R,4R,5S)-3-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-5-hydroxy-4-methyl-2-oxabicyclo[3.1.0]hexan-6-yl]oxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 134225672
2,2-dimethylpropyl (2S)-2-[[[(1S)-1-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]ethoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 66804457

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate?
The IUPAC name of 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate (CID 122532077) is 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate.
What is the SMILES notation for 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate?
The canonical SMILES for 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate is C[C@@H](NP(C)(=O)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate?
The InChIKey is NMZBLDFYESIQSK-SUUGVPPDSA-N. The full InChI is InChI=1S/C19H26NO4P/c1-14(18(21)23-13-19(2,3)4)20-25(5,22)24-17-12-8-10-15-9-6-7-11-16(15)17/h6-12,14H,13H2,1-5H3,(H,20,22)/t14-,25?/m1/s1.
What are the key properties of 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate?
2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate has a molecular weight of 363.39 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 122532077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).