(2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid

C10H11FN2O3 — CID 69298290

IUPAC(2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(F)ccc1N)C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-5(10(15)16)13-9(14)7-4-6(11)2-3-8(7)12/h2-5H,12H2,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyWOGBOCLAVVZFKO-RXMQYKEDSA-N
MW226.21 g/mol
LogP0.61
Rot. Bonds3

About (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid

(2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid (PubChem CID 69298290) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid
PubChem CID69298290
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name(2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(F)ccc1N)C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-5(10(15)16)13-9(14)7-4-6(11)2-3-8(7)12/h2-5H,12H2,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeyWOGBOCLAVVZFKO-RXMQYKEDSA-N
XLogP0.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 2148
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N-(4-Aminobenzoyl)-beta-alanine
CID 719629
2-amino-N-benzylbenzamide
CID 230755
2-Amino-N-methylbenzamide
CID 308072
2-amino-N,N-diethylbenzamide
CID 10104045
2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid
CID 1841495
Methyl n-(2-aminobenzoyl)glycinate
CID 273128
P-aminohippurate
CID 3249988
3,4-Dihydro-7-fluoro-4-methyl-1H-1,4-benzodiazepine-2,5-dione
CID 658990

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid (CID 69298290) is (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid is C[C@@H](NC(=O)c1cc(F)ccc1N)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid?
The InChIKey is WOGBOCLAVVZFKO-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-5(10(15)16)13-9(14)7-4-6(11)2-3-8(7)12/h2-5H,12H2,1H3,(H,13,14)(H,15,16)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid?
(2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid has a molecular weight of 226.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-5-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 69298290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).