(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid

C20H25NO4 — CID 67002110

IUPAC(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid
SMILESCC(NCCc1ccc(O[C@H](C)C(=O)O)cc1)C(O)c1ccccc1
InChIInChI=1S/C20H25NO4/c1-14(19(22)17-6-4-3-5-7-17)21-13-12-16-8-10-18(11-9-16)25-15(2)20(23)24/h3-11,14-15,19,21-22H,12-13H2,1-2H3,(H,23,24)/t14?,15-,19?/m1/s1
InChIKeyJUXJPTUOKCQVNA-XAUUPUKJSA-N
MW343.42 g/mol
LogP2.79
Rot. Bonds9

About (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid

(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid (PubChem CID 67002110) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid
PubChem CID67002110
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid
SMILESCC(NCCc1ccc(O[C@H](C)C(=O)O)cc1)C(O)c1ccccc1
InChIInChI=1S/C20H25NO4/c1-14(19(22)17-6-4-3-5-7-17)21-13-12-16-8-10-18(11-9-16)25-15(2)20(23)24/h3-11,14-15,19,21-22H,12-13H2,1-2H3,(H,23,24)/t14?,15-,19?/m1/s1
InChIKeyJUXJPTUOKCQVNA-XAUUPUKJSA-N
XLogP2.79
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid with MolForge

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Related Compounds

1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid
CID 67001965
(1S,2R)-2-(2-phenylethylamino)-1-(4-phenylmethoxyphenyl)propan-1-ol
CID 69303183
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetic acid;hydrate
CID 139835763
benzyl 2-[4-[2-[[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetate
CID 70173354
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
4-[4-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid;hydrochloride
CID 24894205
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
4-[4-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]phenyl]-2-propan-2-ylsulfanylbenzoic acid;hydrochloride
CID 69102853
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid (CID 67002110) is (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid is CC(NCCc1ccc(O[C@H](C)C(=O)O)cc1)C(O)c1ccccc1.
What is the InChIKey of (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid?
The InChIKey is JUXJPTUOKCQVNA-XAUUPUKJSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(19(22)17-6-4-3-5-7-17)21-13-12-16-8-10-18(11-9-16)25-15(2)20(23)24/h3-11,14-15,19,21-22H,12-13H2,1-2H3,(H,23,24)/t14?,15-,19?/m1/s1.
What are the key properties of (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid?
(2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid has a molecular weight of 343.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]phenoxy]propanoic acid is sourced from PubChem (CID 67002110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).