(2S)-2-(3-methoxyanilino)propanoic acid

C10H13NO3 — CID 7148270

IUPAC(2S)-2-(3-methoxyanilino)propanoic acid
SMILESCOc1cccc(N[C@@H](C)C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-7(10(12)13)11-8-4-3-5-9(6-8)14-2/h3-7,11H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyLEPQMYAMGQGMAC-ZETCQYMHSA-N
MW195.22 g/mol
LogP1.58
Rot. Bonds4

About (2S)-2-(3-methoxyanilino)propanoic acid

(2S)-2-(3-methoxyanilino)propanoic acid (PubChem CID 7148270) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-(3-methoxyanilino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-methoxyanilino)propanoic acid
PubChem CID7148270
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S)-2-(3-methoxyanilino)propanoic acid
SMILESCOc1cccc(N[C@@H](C)C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-7(10(12)13)11-8-4-3-5-9(6-8)14-2/h3-7,11H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyLEPQMYAMGQGMAC-ZETCQYMHSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyanilino)propanoic acid?
The IUPAC name of (2S)-2-(3-methoxyanilino)propanoic acid (CID 7148270) is (2S)-2-(3-methoxyanilino)propanoic acid.
What is the SMILES notation for (2S)-2-(3-methoxyanilino)propanoic acid?
The canonical SMILES for (2S)-2-(3-methoxyanilino)propanoic acid is COc1cccc(N[C@@H](C)C(=O)O)c1.
What is the InChIKey of (2S)-2-(3-methoxyanilino)propanoic acid?
The InChIKey is LEPQMYAMGQGMAC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(10(12)13)11-8-4-3-5-9(6-8)14-2/h3-7,11H,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyanilino)propanoic acid?
(2S)-2-(3-methoxyanilino)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyanilino)propanoic acid is sourced from PubChem (CID 7148270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).