(2R)-2-anilino-3-hydroxypropanoic acid

C9H11NO3 — CID 68662369

IUPAC(2R)-2-anilino-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)Nc1ccccc1
InChIInChI=1S/C9H11NO3/c11-6-8(9(12)13)10-7-4-2-1-3-5-7/h1-5,8,10-11H,6H2,(H,12,13)/t8-/m1/s1
InChIKeyCXIYBDIJKQJUMN-MRVPVSSYSA-N
MW181.19 g/mol
LogP0.54
Rot. Bonds4

About (2R)-2-anilino-3-hydroxypropanoic acid

(2R)-2-anilino-3-hydroxypropanoic acid (PubChem CID 68662369) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2R)-2-anilino-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-anilino-3-hydroxypropanoic acid
PubChem CID68662369
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2R)-2-anilino-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)Nc1ccccc1
InChIInChI=1S/C9H11NO3/c11-6-8(9(12)13)10-7-4-2-1-3-5-7/h1-5,8,10-11H,6H2,(H,12,13)/t8-/m1/s1
InChIKeyCXIYBDIJKQJUMN-MRVPVSSYSA-N
XLogP0.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilino-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-anilino-3-hydroxypropanoic acid (CID 68662369) is (2R)-2-anilino-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-anilino-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-anilino-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)Nc1ccccc1.
What is the InChIKey of (2R)-2-anilino-3-hydroxypropanoic acid?
The InChIKey is CXIYBDIJKQJUMN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-6-8(9(12)13)10-7-4-2-1-3-5-7/h1-5,8,10-11H,6H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-anilino-3-hydroxypropanoic acid?
(2R)-2-anilino-3-hydroxypropanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilino-3-hydroxypropanoic acid is sourced from PubChem (CID 68662369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).