(2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate

C10H12N2O3 — CID 7146206

IUPAC(2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate
SMILESNC(=O)c1ccccc1C[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-3-1-2-4-7(6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m1/s1
InChIKeyQDQWGGPXZQIUPR-MRVPVSSYSA-N
MW208.22 g/mol
LogP-2.31
Rot. Bonds4

About (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate

(2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate (PubChem CID 7146206) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate
PubChem CID7146206
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate
SMILESNC(=O)c1ccccc1C[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-3-1-2-4-7(6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m1/s1
InChIKeyQDQWGGPXZQIUPR-MRVPVSSYSA-N
XLogP-2.31
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-2.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroxypropyl)benzamide
CID 163691147
2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
(2S)-2-azaniumyl-3-(2-nitrophenyl)propanoate
CID 6992717
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 175724621
(2R)-4-(2-aminophenyl)-2-azaniumyl-4-oxobutanoate
CID 6971244
(2S)-2-azaniumyl-3-[4-(hydroxymethyl)phenyl]propanoate
CID 7085768
2-carbamoylbenzoate
CID 3373391
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
(2R)-3-(4-aminophenyl)-2-azaniumylpropanoate
CID 7135682
2-(dibromomethoxymethyl)benzamide
CID 142794227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate?
The IUPAC name of (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate (CID 7146206) is (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate.
What is the SMILES notation for (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate?
The canonical SMILES for (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate is NC(=O)c1ccccc1C[C@@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate?
The InChIKey is QDQWGGPXZQIUPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-3-1-2-4-7(6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate?
(2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate has a molecular weight of 208.22 g/mol, XLogP of -2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate is sourced from PubChem (CID 7146206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).