2-amino-3-hydroxy-3-phenylpropanoic acid

C18H22N2O6 — CID 66621998

IUPAC2-amino-3-hydroxy-3-phenylpropanoic acid
SMILESNC(C(=O)O)C(O)c1ccccc1.NC(C(=O)O)C(O)c1ccccc1
InChIInChI=1S/2C9H11NO3/c2*10-7(9(12)13)8(11)6-4-2-1-3-5-6/h2*1-5,7-8,11H,10H2,(H,12,13)
InChIKeyZFRUKGATCGLSPK-UHFFFAOYSA-N
MW362.38 g/mol
LogP0.26
Rot. Bonds6

About 2-amino-3-hydroxy-3-phenylpropanoic acid

2-amino-3-hydroxy-3-phenylpropanoic acid (PubChem CID 66621998) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-amino-3-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-3-phenylpropanoic acid
PubChem CID66621998
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name2-amino-3-hydroxy-3-phenylpropanoic acid
SMILESNC(C(=O)O)C(O)c1ccccc1.NC(C(=O)O)C(O)c1ccccc1
InChIInChI=1S/2C9H11NO3/c2*10-7(9(12)13)8(11)6-4-2-1-3-5-6/h2*1-5,7-8,11H,10H2,(H,12,13)
InChIKeyZFRUKGATCGLSPK-UHFFFAOYSA-N
XLogP0.26
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 50.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
CID 66207160
2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 66205949
2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 174944828
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
(2S)-2-amino-3-iodo-3-phenylpropanoic acid
CID 69344520
(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
CID 175734272
2-amino-3-chloro-3-phenylpropanoic acid
CID 5001395
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
(2S,3R)-2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid
CID 67747060

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-3-phenylpropanoic acid?
The IUPAC name of 2-amino-3-hydroxy-3-phenylpropanoic acid (CID 66621998) is 2-amino-3-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-3-phenylpropanoic acid is NC(C(=O)O)C(O)c1ccccc1.NC(C(=O)O)C(O)c1ccccc1.
What is the InChIKey of 2-amino-3-hydroxy-3-phenylpropanoic acid?
The InChIKey is ZFRUKGATCGLSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11NO3/c2*10-7(9(12)13)8(11)6-4-2-1-3-5-6/h2*1-5,7-8,11H,10H2,(H,12,13).
What are the key properties of 2-amino-3-hydroxy-3-phenylpropanoic acid?
2-amino-3-hydroxy-3-phenylpropanoic acid has a molecular weight of 362.38 g/mol, XLogP of 0.26, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 66621998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).