3-amino-2-hydroxy-3-phenylpropanoate

C9H10NO3- — CID 22033560

IUPAC3-amino-2-hydroxy-3-phenylpropanoate
SMILESNC(c1ccccc1)C(O)C(=O)[O-]
InChIInChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/p-1
InChIKeyRZARFIRJROUVLM-UHFFFAOYSA-M
MW180.18 g/mol
LogP-1.20
Rot. Bonds3

About 3-amino-2-hydroxy-3-phenylpropanoate

3-amino-2-hydroxy-3-phenylpropanoate (PubChem CID 22033560) has the molecular formula C9H10NO3- and a molecular weight of 180.18 g/mol. Its IUPAC name is 3-amino-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Name3-amino-2-hydroxy-3-phenylpropanoate
PubChem CID22033560
Molecular FormulaC9H10NO3-
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name3-amino-2-hydroxy-3-phenylpropanoate
SMILESNC(c1ccccc1)C(O)C(=O)[O-]
InChIInChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/p-1
InChIKeyRZARFIRJROUVLM-UHFFFAOYSA-M
XLogP-1.20
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride
CID 24994544
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(3R)-3-amino-N,N-dibenzyl-2-hydroxy-3-phenylpropanamide
CID 67829901
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
chloranium 2,2-diphenylacetate
CID 162326731
2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate
CID 69049238
(2S)-2-bromo-2-phenylacetate
CID 7000043
sodium 3-amino-3-phenylpropanoate
CID 67838286
sodium (2R,3R)-4-(3,3-diphenylpropoxy)-2,3-dihydroxy-4-oxobutanoate
CID 164603858
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-3-phenylpropanoate?
The IUPAC name of 3-amino-2-hydroxy-3-phenylpropanoate (CID 22033560) is 3-amino-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for 3-amino-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for 3-amino-2-hydroxy-3-phenylpropanoate is NC(c1ccccc1)C(O)C(=O)[O-].
What is the InChIKey of 3-amino-2-hydroxy-3-phenylpropanoate?
The InChIKey is RZARFIRJROUVLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/p-1.
What are the key properties of 3-amino-2-hydroxy-3-phenylpropanoate?
3-amino-2-hydroxy-3-phenylpropanoate has a molecular weight of 180.18 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 22033560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).