[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate

C15H21NO4 — CID 25367347

IUPAC[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCC[C@@H](C)NC(=O)COC(=O)Cc1ccccc1OC
InChIInChI=1S/C15H21NO4/c1-4-11(2)16-14(17)10-20-15(18)9-12-7-5-6-8-13(12)19-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyFPKIVAKFGGFLRL-LLVKDONJSA-N
MW279.34 g/mol
LogP1.70
Rot. Bonds7

About [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate (PubChem CID 25367347) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
PubChem CID25367347
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCC[C@@H](C)NC(=O)COC(=O)Cc1ccccc1OC
InChIInChI=1S/C15H21NO4/c1-4-11(2)16-14(17)10-20-15(18)9-12-7-5-6-8-13(12)19-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyFPKIVAKFGGFLRL-LLVKDONJSA-N
XLogP1.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625176
[2-(butan-2-ylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 43032140
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2-methoxyphenyl)acetate
CID 9336979
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate
CID 61314279
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61487898
butan-2-yl 2-(2-methoxyphenyl)acetate
CID 177225373
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2602268
N-[(2R)-butan-2-yl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664433
2-methylpentyl 2-(2-methoxyphenyl)acetate
CID 129279384
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate (CID 25367347) is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate is CC[C@@H](C)NC(=O)COC(=O)Cc1ccccc1OC.
What is the InChIKey of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The InChIKey is FPKIVAKFGGFLRL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-11(2)16-14(17)10-20-15(18)9-12-7-5-6-8-13(12)19-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate has a molecular weight of 279.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 25367347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).