2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride

C19H24ClNO2 — CID 66782242

IUPAC2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
SMILESC[C@H](N[C@@H](C)Cc1cccc(CC(=O)O)c1)c1ccccc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-14(20-15(2)18-9-4-3-5-10-18)11-16-7-6-8-17(12-16)13-19(21)22;/h3-10,12,14-15,20H,11,13H2,1-2H3,(H,21,22);1H/t14-,15-;/m0./s1
InChIKeyIGSZEJQIMFPNLI-YYLIZZNMSA-N
MW333.86 g/mol
LogP4.02
Rot. Bonds7

About 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride

2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride (PubChem CID 66782242) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
PubChem CID66782242
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
SMILESC[C@H](N[C@@H](C)Cc1cccc(CC(=O)O)c1)c1ccccc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-14(20-15(2)18-9-4-3-5-10-18)11-16-7-6-8-17(12-16)13-19(21)22;/h3-10,12,14-15,20H,11,13H2,1-2H3,(H,21,22);1H/t14-,15-;/m0./s1
InChIKeyIGSZEJQIMFPNLI-YYLIZZNMSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride with MolForge

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Related Compounds

2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
CID 68718395
methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate;hydrochloride
CID 46938908
methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
CID 46938717
2-methyl-3-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]propanoic acid
CID 68837599
3-[3-[(2R)-2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 68719445
2-[3-[2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 69325178
tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate
CID 66781839
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105
3-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63868252
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid
CID 21340968
2-[3-(3-methylbutan-2-yl)phenyl]acetic acid
CID 115024785

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride?
The IUPAC name of 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride (CID 66782242) is 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride is C[C@H](N[C@@H](C)Cc1cccc(CC(=O)O)c1)c1ccccc1.Cl.
What is the InChIKey of 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride?
The InChIKey is IGSZEJQIMFPNLI-YYLIZZNMSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-14(20-15(2)18-9-4-3-5-10-18)11-16-7-6-8-17(12-16)13-19(21)22;/h3-10,12,14-15,20H,11,13H2,1-2H3,(H,21,22);1H/t14-,15-;/m0./s1.
What are the key properties of 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride?
2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 66782242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).