2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde

C10H11NO3 — CID 57260630

IUPAC2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde
SMILESN[C@H](C=O)Cc1ccc(O)cc1C=O
InChIInChI=1S/C10H11NO3/c11-9(6-13)3-7-1-2-10(14)4-8(7)5-12/h1-2,4-6,9,14H,3,11H2/t9-/m0/s1
InChIKeyUDKJROJPERKQDA-VIFPVBQESA-N
MW193.20 g/mol
LogP0.27
Rot. Bonds4

About 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde

2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde (PubChem CID 57260630) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde
PubChem CID57260630
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde
SMILESN[C@H](C=O)Cc1ccc(O)cc1C=O
InChIInChI=1S/C10H11NO3/c11-9(6-13)3-7-1-2-10(14)4-8(7)5-12/h1-2,4-6,9,14H,3,11H2/t9-/m0/s1
InChIKeyUDKJROJPERKQDA-VIFPVBQESA-N
XLogP0.27
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde?
The IUPAC name of 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde (CID 57260630) is 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde.
What is the SMILES notation for 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde?
The canonical SMILES for 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde is N[C@H](C=O)Cc1ccc(O)cc1C=O.
What is the InChIKey of 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde?
The InChIKey is UDKJROJPERKQDA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO3/c11-9(6-13)3-7-1-2-10(14)4-8(7)5-12/h1-2,4-6,9,14H,3,11H2/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde?
2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde has a molecular weight of 193.20 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde is sourced from PubChem (CID 57260630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).