[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate

C14H19NO4 — CID 97191713

IUPAC[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate
SMILESCO[C@H](C(=O)O[C@@H](C)C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(13(16)15(2)3)19-14(17)12(18-4)11-8-6-5-7-9-11/h5-10,12H,1-4H3/t10-,12-/m0/s1
InChIKeyPMBSBKCNPAKRNE-JQWIXIFHSA-N
MW265.31 g/mol
LogP1.39
Rot. Bonds5

About [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate

[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate (PubChem CID 97191713) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate
PubChem CID97191713
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate
SMILESCO[C@H](C(=O)O[C@@H](C)C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(13(16)15(2)3)19-14(17)12(18-4)11-8-6-5-7-9-11/h5-10,12H,1-4H3/t10-,12-/m0/s1
InChIKeyPMBSBKCNPAKRNE-JQWIXIFHSA-N
XLogP1.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 99853132
[(1S)-1-(2-bromophenyl)ethyl] (2S)-2-methoxy-2-phenylacetate
CID 10066387
CID 59883683
CID 59883683
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
[(3S,4S)-4-methyl-5-oxoheptan-3-yl] (2S)-2-methoxy-2-phenylacetate
CID 11652238
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
CID 55038053
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
[(2S,3R)-3-[(2R)-2-methoxy-2-phenylacetyl]oxyheptan-2-yl] (2R)-2-methoxy-2-phenylacetate
CID 11418945
1-[4-(difluoromethoxy)phenyl]ethyl 2-methoxy-2-phenylacetate
CID 60589371
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
2-methoxy-2-phenylacetate
CID 4569340

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate?
The IUPAC name of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate (CID 97191713) is [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate.
What is the SMILES notation for [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate?
The canonical SMILES for [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate is CO[C@H](C(=O)O[C@@H](C)C(=O)N(C)C)c1ccccc1.
What is the InChIKey of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate?
The InChIKey is PMBSBKCNPAKRNE-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(13(16)15(2)3)19-14(17)12(18-4)11-8-6-5-7-9-11/h5-10,12H,1-4H3/t10-,12-/m0/s1.
What are the key properties of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate?
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate has a molecular weight of 265.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate is sourced from PubChem (CID 97191713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).