[(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate

C13H17NO4 — CID 7841838

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C13H17NO4/c1-9-5-3-4-6-11(9)17-8-7-12(15)18-10(2)13(14)16/h3-6,10H,7-8H2,1-2H3,(H2,14,16)/t10-/m1/s1
InChIKeyYRVLVAPCTCQKOI-SNVBAGLBSA-N
MW251.28 g/mol
LogP1.18
Rot. Bonds6

About [(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate

[(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate (PubChem CID 7841838) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
PubChem CID7841838
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C13H17NO4/c1-9-5-3-4-6-11(9)17-8-7-12(15)18-10(2)13(14)16/h3-6,10H,7-8H2,1-2H3,(H2,14,16)/t10-/m1/s1
InChIKeyYRVLVAPCTCQKOI-SNVBAGLBSA-N
XLogP1.18
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856468
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 9140008
[(2S)-1-amino-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840611
(1-amino-1-oxopropan-2-yl) 3-(4-methylphenoxy)propanoate
CID 42901568
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7982005
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 46672181
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate
CID 61316741
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate
CID 8750974
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 55418195
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 46618877
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 9139949

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate (CID 7841838) is [(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)O[C@H](C)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate?
The InChIKey is YRVLVAPCTCQKOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-5-3-4-6-11(9)17-8-7-12(15)18-10(2)13(14)16/h3-6,10H,7-8H2,1-2H3,(H2,14,16)/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate?
[(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.18, 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-methylphenoxy)propanoate is sourced from PubChem (CID 7841838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).