(3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid

C11H15NO3 — CID 1381977

IUPAC(3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccccc1[C@@H](N)CC(=O)O
InChIInChI=1S/C11H15NO3/c1-2-15-10-6-4-3-5-8(10)9(12)7-11(13)14/h3-6,9H,2,7,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyQCWPOXWUXDQVID-VIFPVBQESA-N
MW209.25 g/mol
LogP1.56
Rot. Bonds5

About (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid

(3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid (PubChem CID 1381977) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid
PubChem CID1381977
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccccc1[C@@H](N)CC(=O)O
InChIInChI=1S/C11H15NO3/c1-2-15-10-6-4-3-5-8(10)9(12)7-11(13)14/h3-6,9H,2,7,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyQCWPOXWUXDQVID-VIFPVBQESA-N
XLogP1.56
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid (CID 1381977) is (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid is CCOc1ccccc1[C@@H](N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid?
The InChIKey is QCWPOXWUXDQVID-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-10-6-4-3-5-8(10)9(12)7-11(13)14/h3-6,9H,2,7,12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid?
(3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 1381977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).