(2S)-2-(2-ethoxyanilino)propanoic acid

C11H15NO3 — CID 40788292

IUPAC(2S)-2-(2-ethoxyanilino)propanoic acid
SMILESCCOc1ccccc1N[C@@H](C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-15-10-7-5-4-6-9(10)12-8(2)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyVPOYICSVJGYJCM-QMMMGPOBSA-N
MW209.24 g/mol
LogP1.97
Rot. Bonds5

About (2S)-2-(2-ethoxyanilino)propanoic acid

(2S)-2-(2-ethoxyanilino)propanoic acid (PubChem CID 40788292) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyanilino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyanilino)propanoic acid
PubChem CID40788292
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-(2-ethoxyanilino)propanoic acid
SMILESCCOc1ccccc1N[C@@H](C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-15-10-7-5-4-6-9(10)12-8(2)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyVPOYICSVJGYJCM-QMMMGPOBSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-butoxyanilino)propanoic acid
CID 67688894
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
2-[(2-ethoxy-3-pyridinyl)amino]propanoic acid
CID 66173717
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
2-(2-ethoxyanilino)butanamide
CID 62900399
(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide
CID 7450130
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid
CID 108877173
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
(2R)-2-(2-ethoxyanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 8558782
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyanilino)propanoic acid?
The IUPAC name of (2S)-2-(2-ethoxyanilino)propanoic acid (CID 40788292) is (2S)-2-(2-ethoxyanilino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-ethoxyanilino)propanoic acid?
The canonical SMILES for (2S)-2-(2-ethoxyanilino)propanoic acid is CCOc1ccccc1N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2-ethoxyanilino)propanoic acid?
The InChIKey is VPOYICSVJGYJCM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-15-10-7-5-4-6-9(10)12-8(2)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(2-ethoxyanilino)propanoic acid?
(2S)-2-(2-ethoxyanilino)propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxyanilino)propanoic acid is sourced from PubChem (CID 40788292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).