ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate

C16H27NO3 — CID 156835864

IUPACethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate
SMILESCC.CC(N)C(=O)OCC(C)(C)OCc1ccccc1
InChIInChI=1S/C14H21NO3.C2H6/c1-11(15)13(16)17-10-14(2,3)18-9-12-7-5-4-6-8-12;1-2/h4-8,11H,9-10,15H2,1-3H3;1-2H3
InChIKeyGOTJYSHTMWOYTE-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.90
Rot. Bonds6

About ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate

ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate (PubChem CID 156835864) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate.

Molecular Properties

Compound Nameethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate
PubChem CID156835864
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate
SMILESCC.CC(N)C(=O)OCC(C)(C)OCc1ccccc1
InChIInChI=1S/C14H21NO3.C2H6/c1-11(15)13(16)17-10-14(2,3)18-9-12-7-5-4-6-8-12;1-2/h4-8,11H,9-10,15H2,1-3H3;1-2H3
InChIKeyGOTJYSHTMWOYTE-UHFFFAOYSA-N
XLogP2.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-aminopropanoate
CID 726858
2-bromo-3-methyl-3-phenylmethoxybutanoic acid
CID 129074020
(2-carboxyoxy-2-methylpropyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 139931595
3-(2-methyl-2-phenylmethoxypropoxy)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 146471668
ethane;2,4,4-trimethylpentan-2-yloxymethylbenzene
CID 158923607
2-phenylmethoxy-2-propan-2-ylpropanedioic acid
CID 21275279
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
benzyl 2-tert-butyl-3,3-dimethylbutanoate
CID 130279218
benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
benzyl 3,3,4-trimethylpentanoate
CID 162413973

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate?
The IUPAC name of ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate (CID 156835864) is ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate.
What is the SMILES notation for ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate?
The canonical SMILES for ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate is CC.CC(N)C(=O)OCC(C)(C)OCc1ccccc1.
What is the InChIKey of ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate?
The InChIKey is GOTJYSHTMWOYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.C2H6/c1-11(15)13(16)17-10-14(2,3)18-9-12-7-5-4-6-8-12;1-2/h4-8,11H,9-10,15H2,1-3H3;1-2H3.
What are the key properties of ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate?
ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate has a molecular weight of 281.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-2-phenylmethoxypropyl) 2-aminopropanoate is sourced from PubChem (CID 156835864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).