[(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate

C10H11NO4 — CID 2624869

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate
SMILESC[C@H](OC(=O)c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C10H11NO4/c1-6(9(11)13)15-10(14)7-2-4-8(12)5-3-7/h2-6,12H,1H3,(H2,11,13)/t6-/m0/s1
InChIKeyOXWOUUKCJICYQX-LURJTMIESA-N
MW209.20 g/mol
LogP0.42
Rot. Bonds3

About [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate

[(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate (PubChem CID 2624869) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate
PubChem CID2624869
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate
SMILESC[C@H](OC(=O)c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C10H11NO4/c1-6(9(11)13)15-10(14)7-2-4-8(12)5-3-7/h2-6,12H,1H3,(H2,11,13)/t6-/m0/s1
InChIKeyOXWOUUKCJICYQX-LURJTMIESA-N
XLogP0.42
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate (CID 2624869) is [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate is C[C@H](OC(=O)c1ccc(O)cc1)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate?
The InChIKey is OXWOUUKCJICYQX-LURJTMIESA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(9(11)13)15-10(14)7-2-4-8(12)5-3-7/h2-6,12H,1H3,(H2,11,13)/t6-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate?
[(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate has a molecular weight of 209.20 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate is sourced from PubChem (CID 2624869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).