(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate

C16H17NO3 — CID 67767154

IUPAC(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-12(17)16(18)20-15-9-5-8-14(10-15)19-11-13-6-3-2-4-7-13/h2-10,12H,11,17H2,1H3/t12-/m0/s1
InChIKeyZLGSFLWIOKUFPW-LBPRGKRZSA-N
MW271.32 g/mol
LogP2.52
Rot. Bonds5

About (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate

(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate (PubChem CID 67767154) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
PubChem CID67767154
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-12(17)16(18)20-15-9-5-8-14(10-15)19-11-13-6-3-2-4-7-13/h2-10,12H,11,17H2,1H3/t12-/m0/s1
InChIKeyZLGSFLWIOKUFPW-LBPRGKRZSA-N
XLogP2.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(3-benzoylphenyl) (2S)-2-aminopropanoate
CID 18635238
benzyl (2S)-2-aminopropanoate
CID 726858
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
(1S)-1-amino-2-methyl-3-oxo-3-[(3-phenylmethoxyphenyl)methoxy]propane-1-sulfonic acid
CID 174560949
1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
CID 22345861
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
(3-carboxyoxyphenyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 139931558
9H-fluoren-9-ylmethyl 2-[(2S)-2-aminopropanoyl]oxy-5-phenylmethoxybenzoate
CID 21055463

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate?
The IUPAC name of (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate (CID 67767154) is (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate.
What is the SMILES notation for (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate?
The canonical SMILES for (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate is C[C@H](N)C(=O)Oc1cccc(OCc2ccccc2)c1.
What is the InChIKey of (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate?
The InChIKey is ZLGSFLWIOKUFPW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(17)16(18)20-15-9-5-8-14(10-15)19-11-13-6-3-2-4-7-13/h2-10,12H,11,17H2,1H3/t12-/m0/s1.
What are the key properties of (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate?
(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate has a molecular weight of 271.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyphenyl) (2S)-2-aminopropanoate is sourced from PubChem (CID 67767154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).