2-amino-3-(2-carbamoylphenoxy)propanoic acid

C10H12N2O4 — CID 65441784

IUPAC2-amino-3-(2-carbamoylphenoxy)propanoic acid
SMILESNC(=O)c1ccccc1OCC(N)C(=O)O
InChIInChI=1S/C10H12N2O4/c11-7(10(14)15)5-16-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)
InChIKeyKILFUEGJKNIMDH-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.42
Rot. Bonds5

About 2-amino-3-(2-carbamoylphenoxy)propanoic acid

2-amino-3-(2-carbamoylphenoxy)propanoic acid (PubChem CID 65441784) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-amino-3-(2-carbamoylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-carbamoylphenoxy)propanoic acid
PubChem CID65441784
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-amino-3-(2-carbamoylphenoxy)propanoic acid
SMILESNC(=O)c1ccccc1OCC(N)C(=O)O
InChIInChI=1S/C10H12N2O4/c11-7(10(14)15)5-16-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)
InChIKeyKILFUEGJKNIMDH-UHFFFAOYSA-N
XLogP-0.42
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
CID 154452638
2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 69220886
2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid
CID 107711556
2-[2-(bromomethyl)butoxy]benzamide
CID 64995210
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-phenacyloxybenzamide
CID 43218588
2-(3-amino-2-ethoxypropoxy)benzamide
CID 63069875
2-(2-oxoethoxy)benzamide
CID 21273663
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-carbamoylphenoxy)propanoic acid?
The IUPAC name of 2-amino-3-(2-carbamoylphenoxy)propanoic acid (CID 65441784) is 2-amino-3-(2-carbamoylphenoxy)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-carbamoylphenoxy)propanoic acid?
The canonical SMILES for 2-amino-3-(2-carbamoylphenoxy)propanoic acid is NC(=O)c1ccccc1OCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-carbamoylphenoxy)propanoic acid?
The InChIKey is KILFUEGJKNIMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c11-7(10(14)15)5-16-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-3-(2-carbamoylphenoxy)propanoic acid?
2-amino-3-(2-carbamoylphenoxy)propanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-carbamoylphenoxy)propanoic acid is sourced from PubChem (CID 65441784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).