[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate

C15H21NO4 — CID 9328058

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)C(N)=O
InChIInChI=1S/C15H21NO4/c1-10(14(16)18)20-13(17)9-19-12-7-5-11(6-8-12)15(2,3)4/h5-8,10H,9H2,1-4H3,(H2,16,18)/t10-/m1/s1
InChIKeyXHKWUHDQYPQYAU-SNVBAGLBSA-N
MW279.34 g/mol
LogP1.78
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate (PubChem CID 9328058) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
PubChem CID9328058
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)C(N)=O
InChIInChI=1S/C15H21NO4/c1-10(14(16)18)20-13(17)9-19-12-7-5-11(6-8-12)15(2,3)4/h5-8,10H,9H2,1-4H3,(H2,16,18)/t10-/m1/s1
InChIKeyXHKWUHDQYPQYAU-SNVBAGLBSA-N
XLogP1.78
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141078
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855511
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855492
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854498
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846065
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 18266611
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855516
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854087
1-(4-methylpiperazin-1-yl)propan-2-yl 2-(4-tert-butylphenoxy)acetate
CID 3521789
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855481
2-(4-tert-butylphenoxy)acetyl chloride
CID 611195
[(2S)-1-amino-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840611

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate (CID 9328058) is [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate is C[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate?
The InChIKey is XHKWUHDQYPQYAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(14(16)18)20-13(17)9-19-12-7-5-11(6-8-12)15(2,3)4/h5-8,10H,9H2,1-4H3,(H2,16,18)/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate has a molecular weight of 279.34 g/mol, XLogP of 1.78, 5 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] 2-(4-tert-butylphenoxy)acetate is sourced from PubChem (CID 9328058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).