(2-carbamoylphenyl) (2S)-2-aminopropanoate

C10H12N2O3 — CID 174745717

IUPAC(2-carbamoylphenyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1C(N)=O
InChIInChI=1S/C10H12N2O3/c1-6(11)10(14)15-8-5-3-2-4-7(8)9(12)13/h2-6H,11H2,1H3,(H2,12,13)/t6-/m0/s1
InChIKeyGFACVKYTJWGMLC-LURJTMIESA-N
MW208.22 g/mol
LogP0.04
Rot. Bonds3

About (2-carbamoylphenyl) (2S)-2-aminopropanoate

(2-carbamoylphenyl) (2S)-2-aminopropanoate (PubChem CID 174745717) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2-carbamoylphenyl) (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(2-carbamoylphenyl) (2S)-2-aminopropanoate
PubChem CID174745717
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2-carbamoylphenyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1C(N)=O
InChIInChI=1S/C10H12N2O3/c1-6(11)10(14)15-8-5-3-2-4-7(8)9(12)13/h2-6H,11H2,1H3,(H2,12,13)/t6-/m0/s1
InChIKeyGFACVKYTJWGMLC-LURJTMIESA-N
XLogP0.04
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-carbamoylphenyl) (2S)-2-aminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428
(2-sulfanylphenyl) (2S)-2-aminopropanoate
CID 89084583
[(3S)-3-amino-4-[2-[(2S)-2-aminopropanoyl]oxyphenyl]-4-oxobutanoyl] (3S)-3-amino-4-[2-[(2S)-2-aminopropanoyl]oxyphenyl]-4-oxobutanoate
CID 54551750
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
2-(1-fluoroethoxy)benzamide
CID 57150200
bis(2-carbamoylphenyl) propanedioate;but-2-ene
CID 162215150
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
2-(2-carbamoylphenoxy)-3-methylbutanoic acid
CID 18073009
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
(2-carbamoylphenyl) 4-(methylamino)butanoate
CID 175602268
(2-acetylphenyl) 2,2-diphenylacetate
CID 134840846

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) (2S)-2-aminopropanoate?
The IUPAC name of (2-carbamoylphenyl) (2S)-2-aminopropanoate (CID 174745717) is (2-carbamoylphenyl) (2S)-2-aminopropanoate.
What is the SMILES notation for (2-carbamoylphenyl) (2S)-2-aminopropanoate?
The canonical SMILES for (2-carbamoylphenyl) (2S)-2-aminopropanoate is C[C@H](N)C(=O)Oc1ccccc1C(N)=O.
What is the InChIKey of (2-carbamoylphenyl) (2S)-2-aminopropanoate?
The InChIKey is GFACVKYTJWGMLC-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(11)10(14)15-8-5-3-2-4-7(8)9(12)13/h2-6H,11H2,1H3,(H2,12,13)/t6-/m0/s1.
What are the key properties of (2-carbamoylphenyl) (2S)-2-aminopropanoate?
(2-carbamoylphenyl) (2S)-2-aminopropanoate has a molecular weight of 208.22 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl) (2S)-2-aminopropanoate is sourced from PubChem (CID 174745717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).