(2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid

C10H11NO4 — CID 5492884

IUPAC(2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C10H11NO4/c1-6(10(14)15)11-9(13)7-4-2-3-5-8(7)12/h2-6,12H,1H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyYJAPDGJWLZEWEH-LURJTMIESA-N
MW209.20 g/mol
LogP0.60
Rot. Bonds3

About (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid

(2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid (PubChem CID 5492884) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid
PubChem CID5492884
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C10H11NO4/c1-6(10(14)15)11-9(13)7-4-2-3-5-8(7)12/h2-6,12H,1H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyYJAPDGJWLZEWEH-LURJTMIESA-N
XLogP0.60
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid (CID 5492884) is (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid is C[C@H](NC(=O)c1ccccc1O)C(=O)O.
What is the InChIKey of (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid?
The InChIKey is YJAPDGJWLZEWEH-LURJTMIESA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(10(14)15)11-9(13)7-4-2-3-5-8(7)12/h2-6,12H,1H3,(H,11,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid?
(2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 5492884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).