(2S)-2-(3,5-dimethoxyanilino)propanoic acid

C11H15NO4 — CID 54357232

IUPAC(2S)-2-(3,5-dimethoxyanilino)propanoic acid
SMILESCOc1cc(N[C@@H](C)C(=O)O)cc(OC)c1
InChIInChI=1S/C11H15NO4/c1-7(11(13)14)12-8-4-9(15-2)6-10(5-8)16-3/h4-7,12H,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyUJYOFKRYXUPXBK-ZETCQYMHSA-N
MW225.24 g/mol
LogP1.59
Rot. Bonds5

About (2S)-2-(3,5-dimethoxyanilino)propanoic acid

(2S)-2-(3,5-dimethoxyanilino)propanoic acid (PubChem CID 54357232) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethoxyanilino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethoxyanilino)propanoic acid
PubChem CID54357232
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2S)-2-(3,5-dimethoxyanilino)propanoic acid
SMILESCOc1cc(N[C@@H](C)C(=O)O)cc(OC)c1
InChIInChI=1S/C11H15NO4/c1-7(11(13)14)12-8-4-9(15-2)6-10(5-8)16-3/h4-7,12H,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyUJYOFKRYXUPXBK-ZETCQYMHSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038
N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
CID 43086081
3-(3,5-dimethoxyanilino)butanoic acid
CID 43536666
2-[(3,5-dimethoxyphenyl)methylamino]propanoic acid
CID 54959230
methyl 3-(3,5-dimethoxyanilino)butanoate
CID 43536667
2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid
CID 61454372
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 82860111
(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
CID 7039116
2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 45100106
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]propanoic acid
CID 3749994
methyl N-[(3S)-3-(3,5-dimethoxyanilino)butanoyl]carbamate
CID 102204758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethoxyanilino)propanoic acid?
The IUPAC name of (2S)-2-(3,5-dimethoxyanilino)propanoic acid (CID 54357232) is (2S)-2-(3,5-dimethoxyanilino)propanoic acid.
What is the SMILES notation for (2S)-2-(3,5-dimethoxyanilino)propanoic acid?
The canonical SMILES for (2S)-2-(3,5-dimethoxyanilino)propanoic acid is COc1cc(N[C@@H](C)C(=O)O)cc(OC)c1.
What is the InChIKey of (2S)-2-(3,5-dimethoxyanilino)propanoic acid?
The InChIKey is UJYOFKRYXUPXBK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(11(13)14)12-8-4-9(15-2)6-10(5-8)16-3/h4-7,12H,1-3H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethoxyanilino)propanoic acid?
(2S)-2-(3,5-dimethoxyanilino)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethoxyanilino)propanoic acid is sourced from PubChem (CID 54357232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).