2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid

C17H27NO3 — CID 105345830

IUPAC2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid
SMILESCOCCN(Cc1ccc(C(C)C(=O)O)cc1)CC(C)C
InChIInChI=1S/C17H27NO3/c1-13(2)11-18(9-10-21-4)12-15-5-7-16(8-6-15)14(3)17(19)20/h5-8,13-14H,9-12H2,1-4H3,(H,19,20)
InChIKeyDULKQXVLIJMMSK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.98
Rot. Bonds9

About 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid

2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid (PubChem CID 105345830) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid
PubChem CID105345830
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid
SMILESCOCCN(Cc1ccc(C(C)C(=O)O)cc1)CC(C)C
InChIInChI=1S/C17H27NO3/c1-13(2)11-18(9-10-21-4)12-15-5-7-16(8-6-15)14(3)17(19)20/h5-8,13-14H,9-12H2,1-4H3,(H,19,20)
InChIKeyDULKQXVLIJMMSK-UHFFFAOYSA-N
XLogP2.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 105345879
2-[4-[[2-(dimethylamino)ethyl-propylamino]methyl]phenyl]propanoic acid
CID 105345931
2-[4-[[ethyl(2-ethylbutyl)amino]methyl]phenyl]propanoic acid
CID 105345788
2-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82982520
2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82981827
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
CID 55214616
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
3-[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 84758632
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid (CID 105345830) is 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid is COCCN(Cc1ccc(C(C)C(=O)O)cc1)CC(C)C.
What is the InChIKey of 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid?
The InChIKey is DULKQXVLIJMMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)11-18(9-10-21-4)12-15-5-7-16(8-6-15)14(3)17(19)20/h5-8,13-14H,9-12H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid?
2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid has a molecular weight of 293.41 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid is sourced from PubChem (CID 105345830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).