(2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate

C17H21NO8 — CID 124560395

IUPAC(2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate
SMILESCOC(=O)COC(=O)[C@@H](Cc1ccc(OCC(=O)OC)cc1)NC(C)=O
InChIInChI=1S/C17H21NO8/c1-11(19)18-14(17(22)26-10-16(21)24-3)8-12-4-6-13(7-5-12)25-9-15(20)23-2/h4-7,14H,8-10H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyIWOTXTCVZSVJBS-CQSZACIVSA-N
MW367.35 g/mol
LogP0.00
Rot. Bonds9

About (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate

(2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate (PubChem CID 124560395) has the molecular formula C17H21NO8 and a molecular weight of 367.35 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate
PubChem CID124560395
Molecular FormulaC17H21NO8
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name(2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate
SMILESCOC(=O)COC(=O)[C@@H](Cc1ccc(OCC(=O)OC)cc1)NC(C)=O
InChIInChI=1S/C17H21NO8/c1-11(19)18-14(17(22)26-10-16(21)24-3)8-12-4-6-13(7-5-12)25-9-15(20)23-2/h4-7,14H,8-10H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyIWOTXTCVZSVJBS-CQSZACIVSA-N
XLogP0.00
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
methyl (2R)-2-acetamido-3-(4-acetyloxyphenyl)propanoate
CID 11818302
(2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate
CID 25192392
(2-amino-2-sulfanylideneethyl) (2R)-2-acetamido-3-phenylpropanoate
CID 102030710
[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 7371261
(2S)-3-[4-(2-methoxy-2-oxoethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 59910020
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
ethyl 2-acetamido-3-[4-[2-[4-(2-acetamido-3-ethoxy-3-oxopropyl)phenyl]ethyl]phenyl]propanoate
CID 101157552
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
(2-methoxy-2-oxoethyl) (2S)-2-amino-3-(4-but-2-ynoxyphenyl)propanoate
CID 90060076
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
ethyl (2S)-2-[[2-(4-hydroxyphenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 70496078

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate?
The IUPAC name of (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate (CID 124560395) is (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate is COC(=O)COC(=O)[C@@H](Cc1ccc(OCC(=O)OC)cc1)NC(C)=O.
What is the InChIKey of (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate?
The InChIKey is IWOTXTCVZSVJBS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO8/c1-11(19)18-14(17(22)26-10-16(21)24-3)8-12-4-6-13(7-5-12)25-9-15(20)23-2/h4-7,14H,8-10H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate?
(2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate has a molecular weight of 367.35 g/mol, XLogP of 0.00, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) (2R)-2-acetamido-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate is sourced from PubChem (CID 124560395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).