3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide

C10H14N2O3 — CID 171867891

IUPAC3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide
SMILESNCc1ccccc1C(O)C(O)C(N)=O
InChIInChI=1S/C10H14N2O3/c11-5-6-3-1-2-4-7(6)8(13)9(14)10(12)15/h1-4,8-9,13-14H,5,11H2,(H2,12,15)
InChIKeyAQPMYNQNLFCCDD-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.98
Rot. Bonds4

About 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide

3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide (PubChem CID 171867891) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide
PubChem CID171867891
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide
SMILESNCc1ccccc1C(O)C(O)C(N)=O
InChIInChI=1S/C10H14N2O3/c11-5-6-3-1-2-4-7(6)8(13)9(14)10(12)15/h1-4,8-9,13-14H,5,11H2,(H2,12,15)
InChIKeyAQPMYNQNLFCCDD-UHFFFAOYSA-N
XLogP-0.98
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide (CID 171867891) is 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide is NCc1ccccc1C(O)C(O)C(N)=O.
What is the InChIKey of 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide?
The InChIKey is AQPMYNQNLFCCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-5-6-3-1-2-4-7(6)8(13)9(14)10(12)15/h1-4,8-9,13-14H,5,11H2,(H2,12,15).
What are the key properties of 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide?
3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide has a molecular weight of 210.23 g/mol, XLogP of -0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).