[(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate

C14H19NO4 — CID 7856468

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCc1ccc(C)c(OCCC(=O)O[C@H](C)C(N)=O)c1
InChIInChI=1S/C14H19NO4/c1-9-4-5-10(2)12(8-9)18-7-6-13(16)19-11(3)14(15)17/h4-5,8,11H,6-7H2,1-3H3,(H2,15,17)/t11-/m1/s1
InChIKeyVVCGPQURVYQSDC-LLVKDONJSA-N
MW265.31 g/mol
LogP1.49
Rot. Bonds6

About [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate

[(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate (PubChem CID 7856468) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
PubChem CID7856468
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCc1ccc(C)c(OCCC(=O)O[C@H](C)C(N)=O)c1
InChIInChI=1S/C14H19NO4/c1-9-4-5-10(2)12(8-9)18-7-6-13(16)19-11(3)14(15)17/h4-5,8,11H,6-7H2,1-3H3,(H2,15,17)/t11-/m1/s1
InChIKeyVVCGPQURVYQSDC-LLVKDONJSA-N
XLogP1.49
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-(2,5-dimethylphenoxy)propanoate
CID 112722920
[(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 7841838
(1-amino-1-oxopropan-2-yl) 3-(4-methylphenoxy)propanoate
CID 42901568
[(2S)-1-amino-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840611
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
CID 46789645
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
CID 40578992
[1-(3-nitroanilino)-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
CID 46789636
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
CID 54991126
(1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816779

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate (CID 7856468) is [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate is Cc1ccc(C)c(OCCC(=O)O[C@H](C)C(N)=O)c1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate?
The InChIKey is VVCGPQURVYQSDC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-4-5-10(2)12(8-9)18-7-6-13(16)19-11(3)14(15)17/h4-5,8,11H,6-7H2,1-3H3,(H2,15,17)/t11-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate?
[(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate is sourced from PubChem (CID 7856468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).