2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid

C14H21NO3 — CID 54932626

IUPAC2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
SMILESCCCNC(C(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-4-9-15-13(14(16)17)11-5-7-12(8-6-11)18-10(2)3/h5-8,10,13,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyGTJXBGQKDPMZIJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.60
Rot. Bonds7

About 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid

2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid (PubChem CID 54932626) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
PubChem CID54932626
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
SMILESCCCNC(C(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-4-9-15-13(14(16)17)11-5-7-12(8-6-11)18-10(2)3/h5-8,10,13,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyGTJXBGQKDPMZIJ-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775
2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid
CID 115352442
2-(4-bromo-3-methylphenyl)-2-(propylamino)acetic acid
CID 66480181
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine
CID 79308290
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)acetic acid
CID 69144874
N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497092
2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
CID 104822494

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid (CID 54932626) is 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid is CCCNC(C(=O)O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid?
The InChIKey is GTJXBGQKDPMZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-9-15-13(14(16)17)11-5-7-12(8-6-11)18-10(2)3/h5-8,10,13,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid?
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid is sourced from PubChem (CID 54932626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).