4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid

C19H23NO4 — CID 54335726

IUPAC4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid
SMILESCC(Cc1ccc(C(=O)O)cc1)NC[C@@H](O)COc1ccccc1
InChIInChI=1S/C19H23NO4/c1-14(11-15-7-9-16(10-8-15)19(22)23)20-12-17(21)13-24-18-5-3-2-4-6-18/h2-10,14,17,20-21H,11-13H2,1H3,(H,22,23)/t14?,17-/m1/s1
InChIKeyTVIJSCSKJDRJDI-FBMWCMRBSA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds9

About 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid

4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid (PubChem CID 54335726) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid
PubChem CID54335726
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid
SMILESCC(Cc1ccc(C(=O)O)cc1)NC[C@@H](O)COc1ccccc1
InChIInChI=1S/C19H23NO4/c1-14(11-15-7-9-16(10-8-15)19(22)23)20-12-17(21)13-24-18-5-3-2-4-6-18/h2-10,14,17,20-21H,11-13H2,1H3,(H,22,23)/t14?,17-/m1/s1
InChIKeyTVIJSCSKJDRJDI-FBMWCMRBSA-N
XLogP2.35
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid with MolForge

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Related Compounds

(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
CID 70462176
methyl 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]acetate
CID 67905669
(3S)-3-[4-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]butanoic acid
CID 67905873
methyl 2-[4-[2-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]phenoxy]acetate
CID 19690919
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-phenoxypropan-2-ol;hydrochloride
CID 3059176
1-benzyl-5-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]indole-2-carboxylic acid
CID 19079726
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817
N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl]phenyl]benzenesulfonamide
CID 19384973
N-[4-[(2S)-2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl]phenyl]benzenesulfonamide
CID 67809552

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid?
The IUPAC name of 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid (CID 54335726) is 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid.
What is the SMILES notation for 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid?
The canonical SMILES for 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid is CC(Cc1ccc(C(=O)O)cc1)NC[C@@H](O)COc1ccccc1.
What is the InChIKey of 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid?
The InChIKey is TVIJSCSKJDRJDI-FBMWCMRBSA-N. The full InChI is InChI=1S/C19H23NO4/c1-14(11-15-7-9-16(10-8-15)19(22)23)20-12-17(21)13-24-18-5-3-2-4-6-18/h2-10,14,17,20-21H,11-13H2,1H3,(H,22,23)/t14?,17-/m1/s1.
What are the key properties of 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid?
4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]benzoic acid is sourced from PubChem (CID 54335726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).