methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate

C14H17NO5 — CID 7996479

IUPACmethyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccc(COC(C)=O)cc1
InChIInChI=1S/C14H17NO5/c1-9(14(18)19-3)15-13(17)12-6-4-11(5-7-12)8-20-10(2)16/h4-7,9H,8H2,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyZLTALYZKMGTBIP-SECBINFHSA-N
MW279.29 g/mol
LogP1.04
Rot. Bonds5

About methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate

methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate (PubChem CID 7996479) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate
PubChem CID7996479
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namemethyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1ccc(COC(C)=O)cc1
InChIInChI=1S/C14H17NO5/c1-9(14(18)19-3)15-13(17)12-6-4-11(5-7-12)8-20-10(2)16/h4-7,9H,8H2,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyZLTALYZKMGTBIP-SECBINFHSA-N
XLogP1.04
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate (CID 7996479) is methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)c1ccc(COC(C)=O)cc1.
What is the InChIKey of methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate?
The InChIKey is ZLTALYZKMGTBIP-SECBINFHSA-N. The full InChI is InChI=1S/C14H17NO5/c1-9(14(18)19-3)15-13(17)12-6-4-11(5-7-12)8-20-10(2)16/h4-7,9H,8H2,1-3H3,(H,15,17)/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate?
methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate has a molecular weight of 279.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate is sourced from PubChem (CID 7996479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).