3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid

C15H21NO5 — CID 81368174

IUPAC3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(OC(C)C(=O)NCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-10(13(17)16-9-15(2,3)14(18)19)21-12-7-5-11(20-4)6-8-12/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyOQGRYJNIBBIAEG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.69
Rot. Bonds7

About 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid

3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid (PubChem CID 81368174) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
PubChem CID81368174
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(OC(C)C(=O)NCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-10(13(17)16-9-15(2,3)14(18)19)21-12-7-5-11(20-4)6-8-12/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyOQGRYJNIBBIAEG-UHFFFAOYSA-N
XLogP1.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
3-[2-(3,5-dichlorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249555
3-[2-(3-bromophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 119250044
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
3-[1-(4-methoxyphenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79623366

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid (CID 81368174) is 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid is COc1ccc(OC(C)C(=O)NCC(C)(C)C(=O)O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is OQGRYJNIBBIAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(13(17)16-9-15(2,3)14(18)19)21-12-7-5-11(20-4)6-8-12/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81368174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).