[(2S)-2-aminopropanoyl] 2-hydroxybenzoate

C10H11NO4 — CID 151967003

IUPAC[(2S)-2-aminopropanoyl] 2-hydroxybenzoate
SMILESC[C@H](N)C(=O)OC(=O)c1ccccc1O
InChIInChI=1S/C10H11NO4/c1-6(11)9(13)15-10(14)7-4-2-3-5-8(7)12/h2-6,12H,11H2,1H3/t6-/m0/s1
InChIKeyTZWITIIJGXAPFV-LURJTMIESA-N
MW209.20 g/mol
LogP0.42
Rot. Bonds2

About [(2S)-2-aminopropanoyl] 2-hydroxybenzoate

[(2S)-2-aminopropanoyl] 2-hydroxybenzoate (PubChem CID 151967003) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is [(2S)-2-aminopropanoyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[(2S)-2-aminopropanoyl] 2-hydroxybenzoate
PubChem CID151967003
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name[(2S)-2-aminopropanoyl] 2-hydroxybenzoate
SMILESC[C@H](N)C(=O)OC(=O)c1ccccc1O
InChIInChI=1S/C10H11NO4/c1-6(11)9(13)15-10(14)7-4-2-3-5-8(7)12/h2-6,12H,11H2,1H3/t6-/m0/s1
InChIKeyTZWITIIJGXAPFV-LURJTMIESA-N
XLogP0.42
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

strontium;acetyl 2-hydroxybenzoate;hydride
CID 172999846
calcium;acetyl 2-hydroxybenzoate;hydride
CID 173063515
2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
(1-amino-2-phenylpropyl) 2-hydroxybenzoate
CID 175312215
amino 2-hydroxybenzoate
CID 12598418
calcium;carboxy 2-hydroxybenzoate;hydride
CID 173402978
methyl 2-hydroxybenzoate;urea
CID 174888687
(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
CID 141348519
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
[2-(carbamoylamino)-3-sulfanylpropanoyl] 2-hydroxybenzoate
CID 58758406
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-aminopropanoyl] 2-hydroxybenzoate?
The IUPAC name of [(2S)-2-aminopropanoyl] 2-hydroxybenzoate (CID 151967003) is [(2S)-2-aminopropanoyl] 2-hydroxybenzoate.
What is the SMILES notation for [(2S)-2-aminopropanoyl] 2-hydroxybenzoate?
The canonical SMILES for [(2S)-2-aminopropanoyl] 2-hydroxybenzoate is C[C@H](N)C(=O)OC(=O)c1ccccc1O.
What is the InChIKey of [(2S)-2-aminopropanoyl] 2-hydroxybenzoate?
The InChIKey is TZWITIIJGXAPFV-LURJTMIESA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(11)9(13)15-10(14)7-4-2-3-5-8(7)12/h2-6,12H,11H2,1H3/t6-/m0/s1.
What are the key properties of [(2S)-2-aminopropanoyl] 2-hydroxybenzoate?
[(2S)-2-aminopropanoyl] 2-hydroxybenzoate has a molecular weight of 209.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-aminopropanoyl] 2-hydroxybenzoate is sourced from PubChem (CID 151967003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).