3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid

C15H23NO4 — CID 21253509

IUPAC3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
SMILESCC(C)NCC(O)COc1ccccc1CCC(=O)O
InChIInChI=1S/C15H23NO4/c1-11(2)16-9-13(17)10-20-14-6-4-3-5-12(14)7-8-15(18)19/h3-6,11,13,16-17H,7-10H2,1-2H3,(H,18,19)
InChIKeyGPJPFTGUNQODPS-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.44
Rot. Bonds9

About 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid

3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid (PubChem CID 21253509) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
PubChem CID21253509
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
SMILESCC(C)NCC(O)COc1ccccc1CCC(=O)O
InChIInChI=1S/C15H23NO4/c1-11(2)16-9-13(17)10-20-14-6-4-3-5-12(14)7-8-15(18)19/h3-6,11,13,16-17H,7-10H2,1-2H3,(H,18,19)
InChIKeyGPJPFTGUNQODPS-UHFFFAOYSA-N
XLogP1.44
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 14029276
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 21124907
3-[2-(2-fluoropropoxy)phenyl]propanoic acid
CID 84614665
2,3-dihydroxybutanedioic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 66615141
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
1-[2-(2,3-dibromopropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 11329315
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;octadecanoic acid
CID 70496276
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid?
The IUPAC name of 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid (CID 21253509) is 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid is CC(C)NCC(O)COc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid?
The InChIKey is GPJPFTGUNQODPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)16-9-13(17)10-20-14-6-4-3-5-12(14)7-8-15(18)19/h3-6,11,13,16-17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid?
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid has a molecular weight of 281.35 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid is sourced from PubChem (CID 21253509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).