(2R)-2-azaniumyl-3-phenylpropanoate

C9H11NO2 — CID 6919011

IUPAC(2R)-2-azaniumyl-3-phenylpropanoate
SMILES[NH3+][C@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChIKeyCOLNVLDHVKWLRT-MRVPVSSYSA-N
MW165.19 g/mol
LogP-1.41
Rot. Bonds3

About (2R)-2-azaniumyl-3-phenylpropanoate

(2R)-2-azaniumyl-3-phenylpropanoate (PubChem CID 6919011) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2R)-2-azaniumyl-3-phenylpropanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-3-phenylpropanoate
PubChem CID6919011
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(2R)-2-azaniumyl-3-phenylpropanoate
SMILES[NH3+][C@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChIKeyCOLNVLDHVKWLRT-MRVPVSSYSA-N
XLogP-1.41
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
Fenclonine
CID 4652
Dl-Phenylalanine
CID 994
D-Phenylalanine
CID 71567
N-Acetyl-L-phenylalanine
CID 74839
Phenibut
CID 14113
p-Fluorophenylalanine
CID 4654
L-Phenylglycine
CID 99291
Endorphenyl
CID 6925665
2-Phenylglycine
CID 3866
Afalanine
CID 2000
DL-alpha-Methylphenylalanine
CID 108055

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-3-phenylpropanoate?
The IUPAC name of (2R)-2-azaniumyl-3-phenylpropanoate (CID 6919011) is (2R)-2-azaniumyl-3-phenylpropanoate.
What is the SMILES notation for (2R)-2-azaniumyl-3-phenylpropanoate?
The canonical SMILES for (2R)-2-azaniumyl-3-phenylpropanoate is [NH3+][C@H](Cc1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-3-phenylpropanoate?
The InChIKey is COLNVLDHVKWLRT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-3-phenylpropanoate?
(2R)-2-azaniumyl-3-phenylpropanoate has a molecular weight of 165.19 g/mol, XLogP of -1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-3-phenylpropanoate is sourced from PubChem (CID 6919011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).