methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate

C18H23NO4 — CID 102217783

IUPACmethyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate
SMILESCOC(=O)[C@@](N)(Cc1ccc2ccccc2c1)CC(OC)OC
InChIInChI=1S/C18H23NO4/c1-21-16(22-2)12-18(19,17(20)23-3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12,19H2,1-3H3/t18-/m1/s1
InChIKeyQCKHGPMIBQELPP-GOSISDBHSA-N
MW317.39 g/mol
LogP2.26
Rot. Bonds7

About methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate

methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate (PubChem CID 102217783) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate
PubChem CID102217783
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Namemethyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate
SMILESCOC(=O)[C@@](N)(Cc1ccc2ccccc2c1)CC(OC)OC
InChIInChI=1S/C18H23NO4/c1-21-16(22-2)12-18(19,17(20)23-3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12,19H2,1-3H3/t18-/m1/s1
InChIKeyQCKHGPMIBQELPP-GOSISDBHSA-N
XLogP2.26
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-amino-3-methyl-2-(naphthalen-2-ylmethyl)butanoate
CID 134918284
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063
benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
CID 164676045
methyl (4S)-2-amino-2-[[3,4-bis(butan-2-yloxycarbonyloxy)phenyl]methyl]-4-phenoxycarbonyloxypentanoate
CID 90743965
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
2-amino-2-(naphthalen-2-ylmethyl)-3-oxohexanamide;hydrochloride
CID 174453601
methyl (4S)-2-amino-2-[[3,4-bis(3-methylbutanoyloxy)phenyl]methyl]-4-phenoxycarbonyloxypentanoate
CID 91366565
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
1-O-ethyl 3-O-(naphthalen-2-ylmethyl) 2-ethylpropanedioate
CID 174363846
ethyl (2S)-2-chloro-2-(naphthalen-2-ylmethyl)-3-oxobutanoate
CID 177414354
4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 120589267

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate?
The IUPAC name of methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate (CID 102217783) is methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate.
What is the SMILES notation for methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate?
The canonical SMILES for methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate is COC(=O)[C@@](N)(Cc1ccc2ccccc2c1)CC(OC)OC.
What is the InChIKey of methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate?
The InChIKey is QCKHGPMIBQELPP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23NO4/c1-21-16(22-2)12-18(19,17(20)23-3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12,19H2,1-3H3/t18-/m1/s1.
What are the key properties of methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate?
methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate has a molecular weight of 317.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-4,4-dimethoxy-2-(naphthalen-2-ylmethyl)butanoate is sourced from PubChem (CID 102217783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).