2-amino-3-phenylpropanoic acid;2-phenylethanol

C17H21NO3 — CID 174842884

IUPAC2-amino-3-phenylpropanoic acid;2-phenylethanol
SMILESNC(Cc1ccccc1)C(=O)O.OCCc1ccccc1
InChIInChI=1S/C9H11NO2.C8H10O/c10-8(9(11)12)6-7-4-2-1-3-5-7;9-7-6-8-4-2-1-3-5-8/h1-5,8H,6,10H2,(H,11,12);1-5,9H,6-7H2
InChIKeyMHDZTFDUNYBAHE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-3-phenylpropanoic acid;2-phenylethanol

2-amino-3-phenylpropanoic acid;2-phenylethanol (PubChem CID 174842884) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;2-phenylethanol.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;2-phenylethanol
PubChem CID174842884
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-amino-3-phenylpropanoic acid;2-phenylethanol
SMILESNC(Cc1ccccc1)C(=O)O.OCCc1ccccc1
InChIInChI=1S/C9H11NO2.C8H10O/c10-8(9(11)12)6-7-4-2-1-3-5-7;9-7-6-8-4-2-1-3-5-8/h1-5,8H,6,10H2,(H,11,12);1-5,9H,6-7H2
InChIKeyMHDZTFDUNYBAHE-UHFFFAOYSA-N
XLogP1.86
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 67057392
2-amino-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 77218984
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
CID 70476310
CID 70476310
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid;2-phenylethanol?
The IUPAC name of 2-amino-3-phenylpropanoic acid;2-phenylethanol (CID 174842884) is 2-amino-3-phenylpropanoic acid;2-phenylethanol.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;2-phenylethanol?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;2-phenylethanol is NC(Cc1ccccc1)C(=O)O.OCCc1ccccc1.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;2-phenylethanol?
The InChIKey is MHDZTFDUNYBAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C8H10O/c10-8(9(11)12)6-7-4-2-1-3-5-7;9-7-6-8-4-2-1-3-5-8/h1-5,8H,6,10H2,(H,11,12);1-5,9H,6-7H2.
What are the key properties of 2-amino-3-phenylpropanoic acid;2-phenylethanol?
2-amino-3-phenylpropanoic acid;2-phenylethanol has a molecular weight of 287.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid;2-phenylethanol is sourced from PubChem (CID 174842884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).