2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid

C17H25NO3 — CID 63918609

IUPAC2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid
SMILESCc1cccc(C)c1OCC(NC(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C17H25NO3/c1-11(2)18-17(16(19)20,14-8-9-14)10-21-15-12(3)6-5-7-13(15)4/h5-7,11,14,18H,8-10H2,1-4H3,(H,19,20)
InChIKeyZUKBGXRSZVCWJO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.91
Rot. Bonds7

About 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid

2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid (PubChem CID 63918609) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid
PubChem CID63918609
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid
SMILESCc1cccc(C)c1OCC(NC(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C17H25NO3/c1-11(2)18-17(16(19)20,14-8-9-14)10-21-15-12(3)6-5-7-13(15)4/h5-7,11,14,18H,8-10H2,1-4H3,(H,19,20)
InChIKeyZUKBGXRSZVCWJO-UHFFFAOYSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 102983623
2-cyclopropyl-3-[(2-methylphenyl)methylsulfanyl]-2-(propan-2-ylamino)propanoic acid
CID 63919667
methyl 2-cyclopropyl-3-(3-methylphenoxy)-2-(propan-2-ylamino)propanoate
CID 63918634
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid
CID 82005980
3-(2-cyclobutylethoxy)-2-cyclopropyl-2-(propan-2-ylamino)propanoic acid
CID 114157863
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanoic acid
CID 63919147
2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)propanoic acid
CID 115942578
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919213
2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919210
2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid
CID 102607546
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(propan-2-ylamino)propanamide
CID 63920376
2-cyclopropyl-3-(2-methoxyphenyl)sulfanyl-2-(propan-2-ylamino)propanoic acid
CID 63921033

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid (CID 63918609) is 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid is Cc1cccc(C)c1OCC(NC(C)C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid?
The InChIKey is ZUKBGXRSZVCWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)18-17(16(19)20,14-8-9-14)10-21-15-12(3)6-5-7-13(15)4/h5-7,11,14,18H,8-10H2,1-4H3,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid?
2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 63918609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).