methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate

C18H26ClNO4 — CID 101204647

IUPACmethyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate
SMILESCOC(=O)[C@@H](N[C@H](c1ccc(Cl)cc1)C(C)(C)C(=O)OC)C(C)C
InChIInChI=1S/C18H26ClNO4/c1-11(2)14(16(21)23-5)20-15(18(3,4)17(22)24-6)12-7-9-13(19)10-8-12/h7-11,14-15,20H,1-6H3/t14-,15+/m0/s1
InChIKeyJXOJKORPCWDIFL-LSDHHAIUSA-N
MW355.86 g/mol
LogP3.37
Rot. Bonds7

About methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate

methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate (PubChem CID 101204647) has the molecular formula C18H26ClNO4 and a molecular weight of 355.86 g/mol. Its IUPAC name is methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate
PubChem CID101204647
Molecular FormulaC18H26ClNO4
Molecular Weight355.86 g/mol
Exact Mass355.16
IUPAC Namemethyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate
SMILESCOC(=O)[C@@H](N[C@H](c1ccc(Cl)cc1)C(C)(C)C(=O)OC)C(C)C
InChIInChI=1S/C18H26ClNO4/c1-11(2)14(16(21)23-5)20-15(18(3,4)17(22)24-6)12-7-9-13(19)10-8-12/h7-11,14-15,20H,1-6H3/t14-,15+/m0/s1
InChIKeyJXOJKORPCWDIFL-LSDHHAIUSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate (CID 101204647) is methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate is COC(=O)[C@@H](N[C@H](c1ccc(Cl)cc1)C(C)(C)C(=O)OC)C(C)C.
What is the InChIKey of methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate?
The InChIKey is JXOJKORPCWDIFL-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H26ClNO4/c1-11(2)14(16(21)23-5)20-15(18(3,4)17(22)24-6)12-7-9-13(19)10-8-12/h7-11,14-15,20H,1-6H3/t14-,15+/m0/s1.
What are the key properties of methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate?
methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate has a molecular weight of 355.86 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 101204647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).